CAS RN: 55350-03-3
CAS Name: acetic acid [(1S,3S,4S,5S,7R)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-2-pyranyl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ester
OPENEYE Name: [(1S,3S,4S,5S,7R)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxo-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
IUPAC Name: [(1S,3S,4S,5S,7R)-7-ethyl-4-hydroxy-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
SYSTEMATIC NAME: [(1S,3S,4S,5S,7R)-7-ethyl-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxidanylidene-pyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-4-oxidanyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] ethanoate
MOLECULAR FORMULA: C25H32O8
MOLECULAR WEIGHT: 460.51678
SMILES: CC[C@@H]1[C@]2(C([C@@](O1)([C@H]([C@@H](O2)/C=C/C=C/C=C/C3=C(C(=CC(=O)O3)OC)C)O)C)OC(=O)C)C
Structure:
CAS RN: 52301-70-9
CAS Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
OPENEYE Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-morpholino-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-6-morpholino-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
IUPAC Name: hexasodium 2-[[4-[4-[(E)-2-[4-[[4-(2,5-disulfonatoanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
SYSTEMATIC NAME: hexasodium 2-[[4-[[4-[(E)-2-[4-[[4-[(2,5-disulfonatophenyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]benzene-1,4-disulfonate
MOLECULAR FORMULA: C40H34N12Na6O20S6
MOLECULAR WEIGHT: 1333.09498
SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=C(C=CC(=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)NC6=NC(=NC(=N6)N7CCOCC7)NC8=C(C=CC(=C8)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 52286-74-5
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R)-3,12-dihydroxy-17-[(E,2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R)-3,12-dihydroxy-17-[(E,1S)-1-hydroxy-1,5-dimethyl-hept-4-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,14R)-3,12-dihydroxy-17-[(E,2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)ox
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(6R,10R,12S,14R)-4,4,10,14-tetramethyl-17-[(E,2S)-6-methyl-2-oxidanyl-oct-5-en-2-yl]-3,12-bis(oxidanyl)-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6
MOLECULAR FORMULA: C42H72O13
MOLECULAR WEIGHT: 785.01328
SMILES: CC/C(=C/CC[C@@](C)(C1CC[C@]2(C1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)C)O)/C
Structure:
CAS RN: 52286-58-5
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxy
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-3,12-dihydroxy-17-[(E,1S)-1-hydroxy-1,5-dimethyl-hept-4-enyl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydro
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(6R,10R,12S,13S,14R,17S)-3,12-dihydroxy-17-[(E,2S)-2-hydroxy-6-methyloct-5-en-2-yl]-4,4,10,14-tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxym
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(6R,10R,12S,13S,14R,17S)-4,4,10,14-tetramethyl-17-[(E,2S)-6-methyl-2-oxidanyl-oct-5-en-2-yl]-3,12-bis(oxidanyl)-1,2,3,5,6,7,8,9,11,12,13,15,16,17-tetradecahydro
MOLECULAR FORMULA: C42H72O14
MOLECULAR WEIGHT: 801.01268
SMILES: CC/C(=C/CC[C@@](C)([C@H]1CC[C@]2([C@H]1[C@H](CC3C2C[C@H](C4[C@@]3(CCC(C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)C)O)/C
Structure:
CAS RN: 52246-50-1
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-[[(E)-1-oxobut-2-enyl]amino]-9-purinyl]-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-[2-[[(E)-but-2-enoyl]amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C14H18N5O8P
MOLECULAR WEIGHT: 415.295181
SMILES: C/C=C/C(=O)NC1=NC=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
Structure:
CAS RN: 50656-66-1
CAS Name: 2-methyl-2-propenoic acid [(3aR,4S,6Z,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6Z,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
IUPAC Name: [(3aR,4S,6Z,9Z,11S,11aS)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(3aR,4S,6Z,9Z,11S,11aS)-6,10-dimethyl-3-methylidene-11-oxidanyl-2,8-bis(oxidanylidene)-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H22O6
MOLECULAR WEIGHT: 346.37438
SMILES: C/C/1=C/C(=O)/C=C(\[C@@H]([C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O2)O)/C
Structure:
CAS RN: 42380-62-1
CAS Name: disodium 2-chloro-5-[(E)-2-[4-[4-[(E)-2-(4-chloro-3-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 2-chloro-5-[(E)-2-[4-[4-[(E)-2-(4-chloro-3-sulfonato-phenyl)vinyl]phenyl]phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 2-chloro-5-[(E)-2-[4-[4-[(E)-2-(4-chloro-3-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-chloranyl-5-[(E)-2-[4-[4-[(E)-2-(4-chloranyl-3-sulfonato-phenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C28H18Cl2Na2O6S2
MOLECULAR WEIGHT: 631.45446
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=C(C=C2)Cl)S(=O)(=O)[O-])C3=CC=C(C=C3)/C=C/C4=CC(=C(C=C4)Cl)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 41451-69-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28O9
MOLECULAR WEIGHT: 496.50582
SMILES: C/C=C(/C)\C(=O)OC1C2COC(=O)C2CC3=CC(=C(C(=C3C4=CC5=C(C=C14)OCO5)OC)OC)OC
Structure:
CAS RN: 40516-49-2
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester
OPENEYE Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: [(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C49H76O3
MOLECULAR WEIGHT: 713.12594
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)OC2=C(C(=C3C(=C2C)CC[C@@](O3)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)\C)/C
Structure:
CAS RN: 40132-36-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22N2O5-2
MOLECULAR WEIGHT: 394.42048
SMILES: CC1=CC2=C(C=C1)OC3=CC=CC=C3C4N2CCN(C4)C.C(=C\C(=O)[O-])\C(=O)[O-]
Structure:
CAS RN: 39011-92-2
CAS Name: (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]-2-oxanyl]methoxy]ethyl]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4H-pyran-3-carboxylic acid methyl ester
OPENEYE Name: methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]tetrahydropyran-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4H-pyran-3-carboxylate
IUPAC Name: methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
SYSTEMATIC NAME: methyl (5E,6S)-5-ethylidene-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[2-[[(2R,3S,4S,5R,6R)-6-[2-(4-hydroxyphenyl)ethoxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-oxidanylidene-ethyl]-4H-pyran-3-carboxylate
MOLECULAR FORMULA: C31H42O17
MOLECULAR WEIGHT: 686.65498
SMILES: C/C=C\1/[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 38704-36-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C/C=C\1/C=CC2C13C(O3)CCN2
Structure:
CAS RN: 38684-65-0
CAS Name: 2-[(E)-but-1-enoxy]-2-propenoic acid (1-hydroxy-2-methylenebutyl) ester
OPENEYE Name: (1-hydroxy-2-methylene-butyl) 2-[(E)-but-1-enoxy]prop-2-enoate
IUPAC Name: (1-hydroxy-2-methylidenebutyl) 2-[(E)-but-1-enoxy]prop-2-enoate
SYSTEMATIC NAME: (2-methylidene-1-oxidanyl-butyl) 2-[(E)-but-1-enoxy]prop-2-enoate
MOLECULAR FORMULA: C12H18O4
MOLECULAR WEIGHT: 226.26892
SMILES: CC/C=C/OC(=C)C(=O)OC(C(=C)CC)O
Structure:
CAS RN: 35891-72-6
CAS Name: (E,2S)-2-amino-4-methoxy-3-butenoic acid
OPENEYE Name: (E,2S)-2-amino-4-methoxy-but-3-enoic acid
IUPAC Name: (E,2S)-2-amino-4-methoxybut-3-enoic acid
SYSTEMATIC NAME: (E,2S)-2-azanyl-4-methoxy-but-3-enoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CO/C=C/[C@@H](C(=O)O)N
Structure:
CAS RN: 35206-51-0
CAS Name: (E)-2-butenoic acid 4-methylpentan-2-yl ester
OPENEYE Name: 1,3-dimethylbutyl (E)-but-2-enoate
IUPAC Name: 4-methylpentan-2-yl (E)-but-2-enoate
SYSTEMATIC NAME: 4-methylpentan-2-yl (E)-but-2-enoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: C/C=C/C(=O)OC(C)CC(C)C
Structure:
CAS RN: 33889-22-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H56N2O14
MOLECULAR WEIGHT: 824.90974
SMILES: CC1C(/C=C\OC2(C(=O)C3=C(O2)C(=C(C4=C(C(=CC(=C43)NC5CCC(OC5C)O)NC(=O)/C(=C\C(=O)C6CC6C(C(C(C(C1OC(=O)C)C)O)C)O)/C)O)O)C)C)OC
Structure:
CAS RN: 33465-16-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H48O8
MOLECULAR WEIGHT: 584.74012
SMILES: CCCCCCCCC/C=C/C=C/[C@]12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 33156-93-3
CAS Name: (6R)-6-[(E)-but-1-enyl]cyclohepta-1,4-diene
OPENEYE Name: (6R)-6-[(E)-but-1-enyl]cyclohepta-1,4-diene
IUPAC Name: (6R)-6-[(E)-but-1-enyl]cyclohepta-1,4-diene
SYSTEMATIC NAME: (6R)-6-[(E)-but-1-enyl]cyclohepta-1,4-diene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC/C=C/[C@H]1CC=CCC=C1
Structure:
CAS RN: 31994-53-3
CAS Name: 4-[(4Z)-4-[(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxo-1-pyrazolyl]benzenesulfonic acid
OPENEYE Name: 4-[(4Z)-4-[(2Z)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-1-methyl-ethylidene]-3-methyl-5-oxo-pyrazol-1-yl]benzenesulfonic acid
IUPAC Name: 4-[(4Z)-4-[(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[(4Z)-4-[(1Z)-1-(3-ethyl-1,3-benzothiazol-2-ylidene)propan-2-ylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]benzenesulfonic acid
MOLECULAR FORMULA: C22H21N3O4S2
MOLECULAR WEIGHT: 455.54984
SMILES: CCN\1C2=CC=CC=C2S/C1=C\C(=C/3\C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)\C
Structure:
CAS RN: 31685-97-9
CAS Name: (E)-3-phenyl-2-propenoic acid [(1S,2Z,6Z,9S,10R)-3,7,11,11-tetramethyl-9-bicyclo[8.1.0]undeca-2,6-dienyl] ester
OPENEYE Name: [(1S,2Z,6Z,9S,10R)-3,7,11,11-tetramethyl-9-bicyclo[8.1.0]undeca-2,6-dienyl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(1S,2Z,6Z,9S,10R)-3,7,11,11-tetramethyl-9-bicyclo[8.1.0]undeca-2,6-dienyl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(1S,2Z,6Z,9S,10R)-3,7,11,11-tetramethyl-9-bicyclo[8.1.0]undeca-2,6-dienyl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C24H30O2
MOLECULAR WEIGHT: 350.4938
SMILES: C/C/1=C/[C@H]2[C@H](C2(C)C)[C@H](C/C(=C\CC1)/C)OC(=O)/C=C/C3=CC=CC=C3
Structure:
CAS RN: 31333-64-9
CAS Name: diethoxy-[[(Z)-2-(methylthio)prop-1-enyl]thio]-sulfanylidenephosphorane
OPENEYE Name: diethoxy-[(Z)-2-methylsulfanylprop-1-enyl]sulfanyl-thioxo-$l^{5}-phosphane
IUPAC Name: diethoxy-[(Z)-2-methylsulfanylprop-1-enyl]sulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-[(Z)-2-methylsulfanylprop-1-enyl]sulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H17O2PS3
MOLECULAR WEIGHT: 272.388141
SMILES: CCOP(=S)(OCC)S/C=C(/C)\SC
Structure:
CAS RN: 31063-73-7
CAS Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-1-cyclohex-3-enol
OPENEYE Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol
IUPAC Name: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-3,5,5-trimethylcyclohex-3-en-1-ol
SYSTEMATIC NAME: (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]cyclohex-3-en-1-ol
MOLECULAR FORMULA: C40H54O2
MOLECULAR WEIGHT: 566.85556
SMILES: CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC2=C(C[C@H](CC2(C)C)O)C)/C)/C
Structure:
CAS RN: 14031-18-6
CAS Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
OPENEYE Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
SYSTEMATIC NAME: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
Structure:
CAS RN: 14031-39-1
CAS Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
OPENEYE Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
SYSTEMATIC NAME: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
Structure:
CAS RN: 26955-87-3
CAS Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
OPENEYE Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
SYSTEMATIC NAME: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
Structure:
CAS RN: 31063-19-1
CAS Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyl-2-oxiranyl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
OPENEYE Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
IUPAC Name: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane
SYSTEMATIC NAME: 3-[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane
MOLECULAR FORMULA: C30H50O2
MOLECULAR WEIGHT: 442.7168
SMILES: C/C(=C\CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/CC/C=C(/CCC2OC2(C)C)\C
Structure:
CAS RN: 30582-73-1
CAS Name: acetic acid ethenyl ester; (Z)-2-butenedioic acid dibutyl ester; 2-methyl-2-propenoic acid 2-oxiranylmethyl ester; 2-propenoic acid
OPENEYE Name: acrylic acid; dibutyl (Z)-but-2-enedioate; oxiran-2-ylmethyl 2-methylprop-2-enoate; vinyl acetate
IUPAC Name: dibutyl (Z)-but-2-enedioate; ethenyl acetate; oxiran-2-ylmethyl 2-methylprop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: dibutyl (Z)-but-2-enedioate; ethenyl ethanoate; oxiran-2-ylmethyl 2-methylprop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C26H40O11
MOLECULAR WEIGHT: 528.5892
SMILES: CCCCOC(=O)/C=C\C(=O)OCCCC.CC(=C)C(=O)OCC1CO1.CC(=O)OC=C.C=CC(=O)O
Structure:
CAS RN: 29125-77-7
CAS Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-1-cyclohex-2-enone
OPENEYE Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one
IUPAC Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,4,4-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: (6S)-2,4,4-trimethyl-6-oxidanyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4S)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C40H54O3
MOLECULAR WEIGHT: 582.85496
SMILES: CC1=C[C@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)[C@H](CC2(C)C)O)C)/C)/C)(C)C)O
Structure:
CAS RN: 28542-78-1
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]oxolane-3,4-diol
OPENEYE Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C15H21N5O5
MOLECULAR WEIGHT: 351.35774
SMILES: C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO
Structure:
CAS RN: 6025-53-2
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-9-purinyl]oxolane-3,4-diol
OPENEYE Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C15H21N5O5
MOLECULAR WEIGHT: 351.35774
SMILES: C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO
Structure:
CAS RN: 28028-68-4
CAS Name: acetic acid [(1R,2S,4E,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ester
OPENEYE Name: [(1R,2S,4E,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate
IUPAC Name: [(1R,2S,4E,8Z,12R,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] acetate
SYSTEMATIC NAME: [(1R,2S,4E,8Z,12R,13R)-4,8,12-trimethyl-16-methylidene-12-oxidanyl-15-oxidanylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl] ethanoate
MOLECULAR FORMULA: C22H32O5
MOLECULAR WEIGHT: 376.48648
SMILES: C/C/1=C/CC[C@@]([C@H]2C[C@@H]([C@H](C/C(=C/CC1)/C)OC(=O)C)C(=C)C(=O)O2)(C)O
Structure:
CAS RN: 27344-06-5
CAS Name: disodium 5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-[(3-amino-3-oxo-propyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-amino-3-oxo-propyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-amino-3-oxopropyl)-(2-hydroxyethyl)amino]-6-anilino-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-[(3-azanyl-3-oxidanylidene-propyl)-(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[(3-azanyl-3-oxidanylidene-propyl)-(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl
MOLECULAR FORMULA: C42H44N14Na2O10S2
MOLECULAR WEIGHT: 1014.9961
SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCC(=O)N)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCC(=O)N)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 27326-17-6
CAS Name: 6-methoxy-1-[(2E)-2-(1,3,3-trimethyl-2-indolylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium chloride
OPENEYE Name: 6-methoxy-1-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium chloride
IUPAC Name: 6-methoxy-1-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium chloride
SYSTEMATIC NAME: 6-methoxy-1-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-3,4-dihydro-2H-quinolin-1-ium chloride
MOLECULAR FORMULA: C23H27ClN2O
MOLECULAR WEIGHT: 382.92628
SMILES: CC\1(C2=CC=CC=C2N(/C1=C/C=[N+]3CCCC4=C3C=CC(=C4)OC)C)C.[Cl-]
Structure:
CAS RN: 26190-61-4
CAS Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-(methylthio)-9-purinyl]oxolane-3,4-diol
OPENEYE Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]-2-methylsulfanylpurin-9-yl]oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-3-methyl-4-oxidanyl-but-2-enyl]amino]-2-methylsulfanyl-purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C16H23N5O5S
MOLECULAR WEIGHT: 397.44932
SMILES: C/C(=C\CNC1=NC(=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)SC)/CO
Structure:
CAS RN: 25295-51-6
CAS Name: disodium 5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4-azanyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-azanyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C24H26N12Na2O8S2
MOLECULAR WEIGHT: 720.64838
SMILES: C1=CC(=C(C=C1NC2=NC(=NC(=N2)N)NCCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N)NCCO)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 25129-91-3
CAS Name: (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
OPENEYE Name: (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
IUPAC Name: (3E,5R,6E,8S,9E,13S,14R)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
SYSTEMATIC NAME: (3E,5R,6E,8S,9E,13S,14R)-8-methoxy-5,9,13,14-tetramethyl-5-oxidanyl-1-oxacyclotetradeca-3,6,9-trien-2-one
MOLECULAR FORMULA: C18H28O4
MOLECULAR WEIGHT: 308.41252
SMILES: C[C@H]1CC/C=C(/[C@H](/C=C/[C@@](/C=C/C(=O)O[C@@H]1C)(C)O)OC)\C
Structure:
CAS RN: 24239-35-8
CAS Name: tetrasodium 5-[4-(4-sulfonatophenyl)-2-triazolyl]-2-[(E)-2-[2-sulfonato-4-[4-(4-sulfonatophenyl)-2-triazolyl]phenyl]ethenyl]benzenesulfonate
OPENEYE Name: tetrasodium 5-[4-(4-sulfonatophenyl)triazol-2-yl]-2-[(E)-2-[2-sulfonato-4-[4-(4-sulfonatophenyl)triazol-2-yl]phenyl]vinyl]benzenesulfonate
IUPAC Name: tetrasodium 5-[4-(4-sulfonatophenyl)triazol-2-yl]-2-[(E)-2-[2-sulfonato-4-[4-(4-sulfonatophenyl)triazol-2-yl]phenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: tetrasodium 5-[4-(4-sulfonatophenyl)-1,2,3-triazol-2-yl]-2-[(E)-2-[2-sulfonato-4-[4-(4-sulfonatophenyl)-1,2,3-triazol-2-yl]phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C30H18N6Na4O12S4
MOLECULAR WEIGHT: 874.716
SMILES: C1=CC(=CC=C1C2=NN(N=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)N5N=CC(=N5)C6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Structure:
CAS RN: 23729-34-2
CAS Name: disodium 5-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[[4,6-bis[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[(4-chlorophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C44H30Cl4N12Na2O6S2
MOLECULAR WEIGHT: 1074.70734
SMILES: C1=CC(=CC=C1NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=C(C=C8)Cl)Cl.[Na+].[Na+]
Structure:
CAS RN: 22508-01-6
CAS Name: N-[3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1,2,4-oxadiazol-5-yl]acetamide
OPENEYE Name: N-[3-[(E)-2-(5-nitro-2-furyl)vinyl]-1,2,4-oxadiazol-5-yl]acetamide
IUPAC Name: N-[3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-yl]acetamide
SYSTEMATIC NAME: N-[3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-yl]ethanamide
MOLECULAR FORMULA: C10H8N4O5
MOLECULAR WEIGHT: 264.19432
SMILES: CC(=O)NC1=NC(=NO1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
CAS RN: 34457-18-6
CAS Name: N-[3-[(E)-2-(5-nitro-2-furanyl)ethenyl]-1,2,4-oxadiazol-5-yl]acetamide
OPENEYE Name: N-[3-[(E)-2-(5-nitro-2-furyl)vinyl]-1,2,4-oxadiazol-5-yl]acetamide
IUPAC Name: N-[3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-yl]acetamide
SYSTEMATIC NAME: N-[3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,2,4-oxadiazol-5-yl]ethanamide
MOLECULAR FORMULA: C10H8N4O5
MOLECULAR WEIGHT: 264.19432
SMILES: CC(=O)NC1=NC(=NO1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
Structure:
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