CAS RN: 13588-16-4
CAS Name: (2R,3R,5Z)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
OPENEYE Name: (2R,3R,5Z)-5-ethylidene-2-hydroxy-2,3-dimethyl-hexanedioic acid
IUPAC Name: (2R,3R,5Z)-5-ethylidene-2-hydroxy-2,3-dimethylhexanedioic acid
SYSTEMATIC NAME: (2R,3R,5Z)-5-ethylidene-2,3-dimethyl-2-oxidanyl-hexanedioic acid
MOLECULAR FORMULA: C10H16O5
MOLECULAR WEIGHT: 216.23104
SMILES: C/C=C(/C[C@@H](C)[C@](C)(C(=O)O)O)\C(=O)O
Structure:
CAS RN: 1553-59-9
CAS Name: 4-[(E)-2-(5-nitro-2-furanyl)ethenyl]benzamide
OPENEYE Name: 4-[(E)-2-(5-nitro-2-furyl)vinyl]benzamide
IUPAC Name: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzamide
SYSTEMATIC NAME: 4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzamide
MOLECULAR FORMULA: C13H10N2O4
MOLECULAR WEIGHT: 258.2295
SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(O2)[N+](=O)[O-])C(=O)N
Structure:
CAS RN: 1405-53-4
CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxyme
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-m
IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-
MOLECULAR FORMULA: C46H80NO21P
MOLECULAR WEIGHT: 1014.095261
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.OP(=O)(O)O
Structure:
CAS RN: 1393-12-0
CAS Name: (1S,3R,4E,6E,8E,10E,13R,16S,17R,23S,25R,27S,28R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
OPENEYE Name: (1S,3R,4E,6E,8E,10E,13R,16S,17R,23S,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
IUPAC Name: (1S,3R,4E,6E,8E,10E,13R,16S,17R,23S,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrahydroxy-15,19-dioxo-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
SYSTEMATIC NAME: (1S,3R,4E,6E,8E,10E,13R,16S,17R,23S,25R,27S,28R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-17,23,25,27-tetrakis(oxidanyl)-15,19-bis(oxidanylidene)-13-propyl-14,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carbox
MOLECULAR FORMULA: C39H61NO14
MOLECULAR WEIGHT: 767.89994
SMILES: CCC[C@@H]1C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](CCCC(=O)C[C@H]([C@@H](C(=O)O1)CC)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 133906-05-5
CAS Name: (E)-9-octadecenoic acid [3-[hydroxy-[2-[[4-(2-methoxyethoxy)-1,4-dioxobutyl]amino]ethoxy]phosphoryl]oxy-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester
OPENEYE Name: [3-[hydroxy-[2-[[4-(2-methoxyethoxy)-4-oxo-butanoyl]amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
IUPAC Name: [3-[hydroxy-[2-[[4-(2-methoxyethoxy)-4-oxobutanoyl]amino]ethoxy]phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate
SYSTEMATIC NAME: [3-[2-[[4-(2-methoxyethoxy)-4-oxidanylidene-butanoyl]amino]ethoxy-oxidanyl-phosphoryl]oxy-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate
MOLECULAR FORMULA: C48H88NO12P
MOLECULAR WEIGHT: 902.185581
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCC(=O)OCCOC)OC(=O)CCCCCCC/C=C/CCCCCCCC
Structure:
CAS RN: 131256-42-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35NO3
MOLECULAR WEIGHT: 433.5824
SMILES: C[C@H]1/C(=C\[C@@]2(C=C([C@H]3[C@]1(C=C([C@@H]3[C@H]2/C=C/C(=O)C4=C(N5CCCC5C4=O)O)C)C)C)C)/C
Structure:
CAS RN: 130767-46-3
CAS Name: (4E,6E,8E,10Z)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-20,21,23,25,27-pentahydroxy-17-oxo-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
OPENEYE Name: (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-20,21,23,25,27-pentahydroxy-15-isopropyl-17-oxo-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
IUPAC Name: (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-20,21,23,25,27-pentahydroxy-17-oxo-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
SYSTEMATIC NAME: (4E,6E,8E,10Z)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-20,21,23,25,27-pentakis(oxidanyl)-17-oxidanylidene-15-propan-2-yl-16,29-dioxabicyclo[23.3.1]nonacosa-4,6,8,10-tetraene-28-carboxylic acid
MOLECULAR FORMULA: C37H59NO14
MOLECULAR WEIGHT: 741.86266
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC3C(C(CC(O3)(CC(CC(C(CCC(=O)OC(CCC/C=C\C=C\C=C\C=C2)C(C)C)O)O)O)O)O)C(=O)O)O)N)O
Structure:
CAS RN: 129145-63-7
CAS Name: (2E,3Z,5E)-6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3Z,5E)-6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3Z,5E)-6-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3Z,5E)-2-(methoxymethylidene)-3-methyl-6-[4-(3-methylbut-2-enoxy)-3-oxidanyl-phenyl]hexa-3,5-dienoate
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: CC(=CCOC1=C(C=C(C=C1)/C=C/C=C(/C)\C(=C/OC)\C(=O)OC)O)C
Structure:
CAS RN: 126572-77-8
CAS Name: (2E,3Z,5E)-6-[(2R)-5,5-dimethyl-2-(2-methylprop-1-enyl)-6'-spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxin]yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (2E,3Z,5E)-6-[(2R)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylene)-3-methyl-hexa-3,5-dienoate
IUPAC Name: methyl (2E,3Z,5E)-6-[(2R)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate
SYSTEMATIC NAME: methyl (2E,3Z,5E)-6-[(2R)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methyl-hexa-3,5-dienoate
MOLECULAR FORMULA: C26H32O7
MOLECULAR WEIGHT: 456.52808
SMILES: CC(=C[C@@H]1OC(C2(O1)COC3=C(O2)C=C(C=C3)/C=C/C=C(/C)\C(=C/OC)\C(=O)OC)(C)C)C
Structure:
CAS RN: 124596-50-5
CAS Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-[(1R,2S)-1,2,3-trimethyl-1-cyclohex-3-enyl]pent-2-enyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]pent-2-enyl]-1,4-benzoquinone
IUPAC Name: 2-hydroxy-5-methoxy-3-[(E)-3-methyl-5-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]pent-2-enyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-methoxy-3-[(E)-3-methyl-5-[(1R,2S)-1,2,3-trimethylcyclohex-3-en-1-yl]pent-2-enyl]-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: C[C@@H]1C(=CCC[C@]1(C)CC/C(=C/CC2=C(C(=O)C=C(C2=O)OC)O)/C)C
Structure:
CAS RN: 122535-46-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O6
MOLECULAR WEIGHT: 502.68264
SMILES: C[C@H]1[C@@H]/2C/C=C(\[C@H]3C[C@]4(CC[C@H]([C@@H]4C[C@@H]3/C(=C2/C[C@@H]1O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)/C)C(C)C)C)/C=O
Structure:
CAS RN: 119525-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26O7
MOLECULAR WEIGHT: 390.42694
SMILES: CCC/C=C/C(=O)O[C@H]1[C@]2(C=C(C34CC3([C@H]2CC1(C)C)C(=O)O[C@@H]4O)C=O)O
Structure:
CAS RN: 116193-60-3
CAS Name: 4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
OPENEYE Name: 4-[(Z)-1-hydroxy-3-(7-hydroxy-1,1,4,4-tetramethyl-tetralin-6-yl)-3-oxo-prop-1-enyl]benzoic acid
IUPAC Name: 4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(Z)-1-oxidanyl-3-oxidanylidene-3-(5,5,8,8-tetramethyl-3-oxidanyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C24H26O5
MOLECULAR WEIGHT: 394.46024
SMILES: CC1(CCC(C2=C1C=C(C(=C2)O)C(=O)/C=C(/C3=CC=C(C=C3)C(=O)O)\O)(C)C)C
Structure:
CAS RN: 114586-21-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H38O13
MOLECULAR WEIGHT: 618.62562
SMILES: CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)C(=O)C(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O
Structure:
CAS RN: 112923-40-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H60O12
MOLECULAR WEIGHT: 768.9293
SMILES: CC1CCOC(C1C)(C2/C=C\CC(C(C(=C)C3CCC(O3)C4C=CCC(O4)C5CCC(=C)C6(O5)CC(C(=C)C(O6)C7C(CC(=C)C(O7)C(=O)O2)O)C)O)O)O
Structure:
CAS RN: 1264-32-0
CAS Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H24N10Na2O8S2
MOLECULAR WEIGHT: 786.7047
SMILES: C1=CC=C(C=C1)NC2=NC(=O)N=C(N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=O)N=C(N5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 17119-28-7
CAS Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H24N10Na2O8S2
MOLECULAR WEIGHT: 786.7047
SMILES: C1=CC=C(C=C1)NC2=NC(=O)N=C(N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=O)N=C(N5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 36415-17-5
CAS Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H24N10Na2O8S2
MOLECULAR WEIGHT: 786.7047
SMILES: C1=CC=C(C=C1)NC2=NC(=O)N=C(N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=O)N=C(N5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 51810-10-7
CAS Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
OPENEYE Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]vinyl]benzenesulfonate
IUPAC Name: disodium 5-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(6-anilino-4-oxo-1H-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
SYSTEMATIC NAME: disodium 5-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-[(E)-2-[4-[(4-oxidanylidene-6-phenylazanyl-1H-1,3,5-triazin-2-yl)amino]-2-sulfonato-phenyl]ethenyl]benzenesulfonate
MOLECULAR FORMULA: C32H24N10Na2O8S2
MOLECULAR WEIGHT: 786.7047
SMILES: C1=CC=C(C=C1)NC2=NC(=O)N=C(N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=O)N=C(N5)NC6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 132943-68-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C77H130O20
MOLECULAR WEIGHT: 1375.8441
SMILES: CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(CC(CC3CC=CC(O3)CC(C/C=C(/C=C\C(=O)OC(C(C(CC(C(C(CC4CC=CC(O4)CC(C/C=C(/C=C\C(=O)O2)\C)O)OC)C)O)O)C)C(C)C(C(C)CCC5CC(CC(O5)C)OC)O)\C)O)OC)O)O)C)O)OC
Structure:
CAS RN: 128606-47-3
CAS Name: (E)-3-diethoxyphosphinothioyloxy-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
IUPAC Name: ethyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-diethoxyphosphinothioyloxybut-2-enoate
MOLECULAR FORMULA: C10H19O5PS
MOLECULAR WEIGHT: 282.293621
SMILES: CCOC(=O)/C=C(\C)/OP(=S)(OCC)OCC
Structure:
CAS RN: 127999-44-4
CAS Name: N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-9-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en
OPENEYE Name: N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxo-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxo-dodec-1-
IUPAC Name: N-[(E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxirane]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxododec-1-en
SYSTEMATIC NAME: N-[(E,3R,4R,5R,9S,10S,11S)-4-methoxy-3,5,9-trimethyl-10-oxidanyl-6-oxidanylidene-11-[(1S,3S,4S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-3,5,7,17-tetramethoxy-8,14-dimethyl-16-oxidanyl-11-oxidanylidene-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-o
MOLECULAR FORMULA: C46H75NO13
MOLECULAR WEIGHT: 850.0866
SMILES: C[C@H]1[C@@H](C[C@@H]([C@]2(CO2)[C@H](C[C@@H]3CC=C[C@H](O3)C[C@H]([C@H](/C=C(/C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC)O)\C)O)OC)OC)OC)OC
Structure:
CAS RN: 123304-10-9
CAS Name: 15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: 15-[(4-hydroxyphenyl)methyl]-8-isobutyl-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: 15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: 15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
MOLECULAR FORMULA: C52H71N7O13
MOLECULAR WEIGHT: 1002.15924
SMILES: CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=C(C=C2)O)/C=C\C(=C\C(C)C(CC3=CC=CC=C3)OC)\C
Structure:
CAS RN: 122752-21-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C52H74N4O17
MOLECULAR WEIGHT: 1027.16056
SMILES: C[C@@H]1[C@H](C/C=C\C2=NC(=CO2)C3=NC(=CO3)C4=NC(=CO4)[C@H]([C@H](C(=O)/C=C/C[C@@H](CC(=O)O[C@H]1C[C@@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@@H](COC)OC)OC)O)C)OC)OC
Structure:
CAS RN: 119313-46-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H68O12
MOLECULAR WEIGHT: 740.96072
SMILES: CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4(C(CC(CO4)C)/C=C\CCCC(C(CC(C(C(C(/C=C/C(=O)O3)(C)O)O)C)O)O)(C)O)O)C)C)O
Structure:
CAS RN: 126456-03-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H68O12
MOLECULAR WEIGHT: 740.96072
SMILES: CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4(C(CC(CO4)C)/C=C\CCCC(C(CC(C(C(C(/C=C/C(=O)O3)(C)O)O)C)O)O)(C)O)O)C)C)O
Structure:
CAS RN: 118993-44-5
CAS Name: N-[(1E)-4-(4-methylphenyl)sulfinyl-1-phenylhexa-1,5-dien-3-yl]aniline
OPENEYE Name: N-[2-(p-tolylsulfinyl)-1-[(E)-styryl]but-3-enyl]aniline
IUPAC Name: N-[(1E)-4-(4-methylphenyl)sulfinyl-1-phenylhexa-1,5-dien-3-yl]aniline
SYSTEMATIC NAME: N-[(1E)-4-(4-methylphenyl)sulfinyl-1-phenyl-hexa-1,5-dien-3-yl]aniline
MOLECULAR FORMULA: C25H25NOS
MOLECULAR WEIGHT: 387.5371
SMILES: CC1=CC=C(C=C1)S(=O)C(C=C)C(/C=C/C2=CC=CC=C2)NC3=CC=CC=C3
Structure:
CAS RN: 117855-87-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H54O8
MOLECULAR WEIGHT: 710.89476
SMILES: CCC/C=C/C=C/C=C/C1C2C1C3C(C2/C=C\C=C)/C=C/CC(=O)O[C@@]45C[C@H]([C@]6([C@H]([C@@H]4[C@]5(COC3=O)C)C=C(C[C@]7(C6C=C(C7=O)C)O)CO)O)C
Structure:
CAS RN: 112514-54-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H82O21S2
MOLECULAR WEIGHT: 1143.35698
SMILES: C[C@H]1CC[C@]2([C@@H](C[C@H]3[C@](O2)(CC[C@H]4[C@H](O3)C[C@H]5[C@H](O4)C[C@H]6[C@H](O5)C[C@H]7[C@H](O6)C[C@@H]([C@@](O7)(C)CCOS(=O)(=O)O)OS(=O)(=O)O)C)O[C@@H]8[C@@H]1O[C@@H]9[C@@H](C8)O[C@H]1C[C@@H]2[C@H](CC(=C)[C@H](O2)[C@@](C)(/C=C/C(=C)CC=C)O)O[C@@]1([
Structure:
CAS RN: 12609-89-1
CAS Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,29R,32R,33R,35S,37S,38R)-3-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-19,25,29,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,27-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,1
OPENEYE Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,29R,32R,33R,35S,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-19,25,29,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,27-dioxo-22,39-dioxabicyclo[33.3.1]nonatriacon
IUPAC Name: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,29R,32R,33R,35S,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,29,32,33,35,37-heptahydroxy-18,20,21-trimethyl-23,27-dioxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,
SYSTEMATIC NAME: (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,20R,21S,25R,29R,32R,33R,35S,37S,38R)-3-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-18,20,21-trimethyl-19,25,29,32,33,35,37-heptakis(oxidanyl)-23,27-bis(oxidanylidene)-22,39-dioxabicyclo[33.3.1
MOLECULAR FORMULA: C47H71NO17
MOLECULAR WEIGHT: 922.06314
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([C@@H](CC[C@H](CC(=O)C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
Structure:
CAS RN: 11078-23-2
CAS Name: 3-[[(10Z,16Z)-13-[(E)-12-[[amino(methylimino)methyl]amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10Z,16Z)-13-[(E)-1,3-dimethyl-11-[(N'-methylcarbamimidoyl)amino]undec-7-enyl]-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10Z,16Z)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-3-[[(10Z,16Z)-8,12,18,22,26-pentamethyl-13-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-5,7,9,19,21,23,27,29,30,31-decakis(oxidanyl)-15-oxidanylidene-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]propanoic
MOLECULAR FORMULA: C54H95N3O17
MOLECULAR WEIGHT: 1058.342
SMILES: CC1CCC(C(C(CC(C(/C=C\C(=O)OC(C(/C=C\C(C(C(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)OC(=O)CC(=O)O)O)O)C)O)C)C(C)CC(C)CCC/C=C/CCCNC(=NC)N)C)O)O)C)O
Structure:
CAS RN: 11049-15-3
CAS Name: 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[[(2R,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-15-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-2-oxanyl]oxymethyl]-16-ethyl-4-hydroxy-5
OPENEYE Name: 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-15-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl
IUPAC Name: 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-15-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-16-ethyl-4-hydroxy-5,9,1
SYSTEMATIC NAME: 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-15-[[(2R,3R,4R,5S,6R)-3-methoxy-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-5,9,1
MOLECULAR FORMULA: C45H75NO17
MOLECULAR WEIGHT: 902.0735
SMILES: CC[C@@H]1C(/C=C(/C=C/C(=O)[C@@H](C[C@@H](C([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)O)OC
Structure:
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