CAS RN: 70411-34-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H60O10
MOLECULAR WEIGHT: 700.8984
SMILES: CCCCC(C)C(=O)OC1C(C(OC2(C1O)CC3CC(O2)C/C=C(/CC(/C=C/C=C/4\COC5C4(C(C=C(C5OC)C)C(=O)O3)O)C)\C)CC)C
Structure:
CAS RN: 70748-49-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C/1=C\CC[C@]2([C@@H](O2)CC/C(=C/[C@H]3C(=C(CO3)C)CC1)/C)C
Structure:
CAS RN: 69915-09-9
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4S,5R)-6-[[(2R,3S,4S,5R)-6-[[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyrylium-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-4,5-d
OPENEYE Name: [(2S,3R,4S,5R)-6-[[(2R,3S,4S,5R)-6-[2-(3,4-dihydroxy-5-methoxy-phenyl)-7-hydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-4,5-dihydroxy-2-methyl-tetrah
IUPAC Name: [(2S,3R,4S,5R)-6-[[(2R,3S,4S,5R)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(4-hydroxypheny
SYSTEMATIC NAME: [(2S,3R,4S,5R)-6-[[(2R,3S,4S,5R)-6-[5-[(3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[3-methoxy-4,5-bis(oxidanyl)phenyl]-7-oxidanyl-chromenylium-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-2-methyl-4,5-bis(oxidanyl)oxan-3-yl] (E)
MOLECULAR FORMULA: C43H49ClO23
MOLECULAR WEIGHT: 969.28836
SMILES: C[C@H]1[C@@H]([C@H]([C@H](C(O1)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C6=CC(=C(C(=C6)OC)O)O)O)O)O)O)O)OC(=O)/C=C/C7=CC=C(C=C7)O.[Cl-]
Structure:
CAS RN: 70634-51-4
CAS Name: (E)-1-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]-2-buten-1-one
OPENEYE Name: (E)-1-[(1R,2R,4S)-norbornan-2-yl]but-2-en-1-one
IUPAC Name: (E)-1-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]but-2-en-1-one
SYSTEMATIC NAME: (E)-1-[(1S,3R,4R)-3-bicyclo[2.2.1]heptanyl]but-2-en-1-one
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: C/C=C/C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2
Structure:
CAS RN: 70634-48-9
CAS Name: (E)-1-[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]-2-buten-1-one
OPENEYE Name: (E)-1-[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]but-2-en-1-one
IUPAC Name: (E)-1-[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]but-2-en-1-one
SYSTEMATIC NAME: (E)-1-[(1S,4S,5R)-5-bicyclo[2.2.1]hept-2-enyl]but-2-en-1-one
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: C/C=C/C(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2
Structure:
CAS RN: 70552-61-3
CAS Name: (1R,2E,5E,9S)-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-diene-1,2-dicarboxaldehyde
OPENEYE Name: (1R,2E,5E,9S)-9-[(1R)-1,5-dimethylhex-4-enyl]-6-methyl-cyclonona-2,5-diene-1,2-dicarbaldehyde
IUPAC Name: (1R,2E,5E,9S)-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-diene-1,2-dicarbaldehyde
SYSTEMATIC NAME: (1R,2E,5E,9S)-6-methyl-9-[(2R)-6-methylhept-5-en-2-yl]cyclonona-2,5-diene-1,2-dicarbaldehyde
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C/1=C\C/C=C(\[C@@H]([C@@H](CC1)[C@H](C)CCC=C(C)C)C=O)/C=O
Structure:
CAS RN: 70474-34-9
CAS Name: (E)-2-methyl-2-butenoic acid [(1S,2R,8S)-1-[[(E)-1-oxo-3-[4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]phenyl]prop-2-enoxy]methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] ester
OPENEYE Name: [(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,2R,8S)-1-[[(E)-3-[4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C28H37NO9
MOLECULAR WEIGHT: 531.59468
SMILES: C/C=C(\C)/C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1COC(=O)/C=C/C3=CC=C(C=C3)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O
Structure:
CAS RN: 70474-33-8
CAS Name: (Z)-2-methyl-2-butenoic acid [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] ester
OPENEYE Name: [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1S,2R,8S)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C13H21NO3
MOLECULAR WEIGHT: 239.31074
SMILES: C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO
Structure:
CAS RN: 70445-23-7
CAS Name: (E)-2-octadecenedioic acid
OPENEYE Name: (E)-octadec-2-enedioic acid
IUPAC Name: (E)-octadec-2-enedioic acid
SYSTEMATIC NAME: (E)-octadec-2-enedioic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: C(CCCCCCCC(=O)O)CCCCCC/C=C/C(=O)O
Structure:
CAS RN: 70387-53-0
CAS Name: (Z)-2-methyl-2-butenoic acid [(1R,2R,7R,8aR)-1,8a-dimethyl-7-(1-methylethenyl)-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] ester
OPENEYE Name: [(1R,2R,7R,8aR)-7-isopropenyl-1,8a-dimethyl-6-oxo-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C/C=C(/C)\C(=O)O[C@@H]1CCC2=CC(=O)[C@H](C[C@@]2([C@H]1C)C)C(=C)C
Structure:
CAS RN: 70206-27-8
CAS Name: (E)-3-phenyl-2-propenoic acid [(4aR,7S,7aS)-7-methyl-1-[[(2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] ester
OPENEYE Name: [(4aR,7S,7aS)-7-methyl-1-[(2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
IUPAC Name: [(4aR,7S,7aS)-7-methyl-1-[(2S,3R,4R,5S,6R)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: [(4aR,7S,7aS)-1-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]oxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7-yl] (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C24H30O10
MOLECULAR WEIGHT: 478.489
SMILES: C[C@@]1(CC[C@H]2[C@@H]1C(OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@](O3)(CO)O)O)O)O)OC(=O)/C=C/C4=CC=CC=C4
Structure:
CAS RN: 70185-52-3
CAS Name: (E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(6-hydroxy-2,3,4-trimethoxy-phenyl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-phenyl-1-(2,3,4-trimethoxy-6-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: COC1=C(C(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)OC)OC
Structure:
CAS RN: 74064-14-5
CAS Name: (E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenyl-2-propen-1-one
OPENEYE Name: (E)-1-(6-hydroxy-2,3,4-trimethoxy-phenyl)-3-phenyl-prop-2-en-1-one
IUPAC Name: (E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-phenyl-1-(2,3,4-trimethoxy-6-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H18O5
MOLECULAR WEIGHT: 314.33252
SMILES: COC1=C(C(=C(C(=C1)O)C(=O)/C=C/C2=CC=CC=C2)OC)OC
Structure:
CAS RN: 14064-58-5
CAS Name: 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
OPENEYE Name: 1-methoxy-3-[(E)-2-(4-nitrophenyl)vinyl]benzene
IUPAC Name: 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-methoxy-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=CC(=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 70209-85-7
CAS Name: (E)-2-(hydroxymethyl)-2-butenoic acid [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6Z,8S,10Z,11aR)-6,10-dimethyl-3-methylidene-8-oxidanyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: C/C=C(\CO)/C(=O)O[C@@H]1C/C(=C\[C@H](C/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C
Structure:
CAS RN: 69820-27-5
CAS Name: (Z)-13-octadecen-1-ol
OPENEYE Name: (Z)-octadec-13-en-1-ol
IUPAC Name: (Z)-octadec-13-en-1-ol
SYSTEMATIC NAME: (Z)-octadec-13-en-1-ol
MOLECULAR FORMULA: C18H36O
MOLECULAR WEIGHT: 268.47784
SMILES: CCCC/C=C\CCCCCCCCCCCCO
Structure:
CAS RN: 69778-82-1
CAS Name: (E,7S)-N-[(Z,2E)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyl-4-tetradecenamide
OPENEYE Name: (E,7S)-N-[(Z,2E)-2-(chloromethylene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxo-hex-4-enyl]-7-methoxy-N-methyl-tetradec-4-enamide
IUPAC Name: (E,7S)-N-[(Z,2E)-2-(chloromethylidene)-4-methoxy-6-(3-methoxy-5-oxo-2H-pyrrol-1-yl)-6-oxohex-4-enyl]-7-methoxy-N-methyltetradec-4-enamide
SYSTEMATIC NAME: (E,7S)-N-[(Z,2E)-2-(chloranylmethylidene)-4-methoxy-6-(3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl)-6-oxidanylidene-hex-4-enyl]-7-methoxy-N-methyl-tetradec-4-enamide
MOLECULAR FORMULA: C29H45ClN2O6
MOLECULAR WEIGHT: 553.1304
SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)/C/C(=C/C(=O)N1CC(=CC1=O)OC)/OC)OC
Structure:
CAS RN: 69699-10-1
CAS Name: (2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone
OPENEYE Name: (2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-(1-piperidyl)penta-2,4-dien-1-one
IUPAC Name: (2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one
SYSTEMATIC NAME: (2E,4Z)-5-(6-methoxy-1,3-benzodioxol-5-yl)-1-piperidin-1-yl-penta-2,4-dien-1-one
MOLECULAR FORMULA: C18H21NO4
MOLECULAR WEIGHT: 315.36364
SMILES: COC1=CC2=C(C=C1/C=C\C=C\C(=O)N3CCCCC3)OCO2
Structure:
CAS RN: 69618-92-4
CAS Name: (Z)-2-methyl-2-butenoic acid [(4aR,5R,6S,8aS,9aS)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[f]benzofuran-6-yl] ester
OPENEYE Name: [(4aR,5R,6S,8aS,9aS)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[f]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
IUPAC Name: [(4aR,5R,6S,8aS,9aS)-8a-hydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(4aR,5R,6S,8aS,9aS)-3,4a,5-trimethyl-8a-oxidanyl-2-oxidanylidene-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-2-methylbut-2-enoate
MOLECULAR FORMULA: C20H28O5
MOLECULAR WEIGHT: 348.43332
SMILES: C/C=C(/C)\C(=O)O[C@H]1CC[C@@]2(C[C@H]3C(=C(C(=O)O3)C)C[C@@]2([C@H]1C)C)O
Structure:
CAS RN: 69448-97-1
CAS Name: 8-hydroxy-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]-7-methoxy-4-oxo-1-benzopyran-5-carboxylic acid methyl ester
OPENEYE Name: methyl 8-hydroxy-3-[(Z)-1-hydroxy-3-oxo-but-1-enyl]-7-methoxy-4-oxo-chromene-5-carboxylate
IUPAC Name: methyl 8-hydroxy-3-[(Z)-1-hydroxy-3-oxobut-1-enyl]-7-methoxy-4-oxochromene-5-carboxylate
SYSTEMATIC NAME: methyl 7-methoxy-8-oxidanyl-4-oxidanylidene-3-[(Z)-1-oxidanyl-3-oxidanylidene-but-1-enyl]chromene-5-carboxylate
MOLECULAR FORMULA: C16H14O8
MOLECULAR WEIGHT: 334.27756
SMILES: CC(=O)/C=C(/C1=COC2=C(C1=O)C(=CC(=C2O)OC)C(=O)OC)\O
Structure:
CAS RN: 69375-35-5
CAS Name: (E)-4-acetyloxy-2-(hydroxymethyl)-2-butenoic acid [(3aR,4R,6Z,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4R,6Z,9S,10Z,11aR)-9-acetoxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetoxy-2-(hydroxymethyl)but-2-enoate
IUPAC Name: [(3aR,4R,6Z,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate
SYSTEMATIC NAME: [(3aR,4R,6Z,9S,10Z,11aR)-9-acetyloxy-6,10-dimethyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate
MOLECULAR FORMULA: C24H30O9
MOLECULAR WEIGHT: 462.4896
SMILES: C/C/1=C/C[C@@H](/C(=C\[C@@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/COC(=O)C)/CO)C(=C)C(=O)O2)/C)OC(=O)C
Structure:
CAS RN: 69239-53-8
CAS Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxy-7-furo[3,2-g][1]benzopyranone
OPENEYE Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxy-furo[3,2-g]chromen-7-one
IUPAC Name: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxyfuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxy-furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C22H24O5
MOLECULAR WEIGHT: 368.42296
SMILES: CC(=CCC/C(=C/COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)/C)C
Structure:
CAS RN: 69188-40-5
CAS Name: (Z)-2-[[(Z)-2-methyl-1-oxobut-2-enoxy]methyl]-2-butenoic acid
OPENEYE Name: (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
IUPAC Name: (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
SYSTEMATIC NAME: (Z)-2-[[(Z)-2-methylbut-2-enoyl]oxymethyl]but-2-enoic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: C/C=C(/C)\C(=O)OC/C(=C/C)/C(=O)O
Structure:
CAS RN: 69121-74-0
CAS Name: acetic acid [(1S,3R,4R,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxy-1-oxotetradec-4-enyl]-methylamino]prop-1-en-2-yl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] ester
OPENEYE Name: [(1S,3R,4R,6S)-6-[(Z)-2-chloro-1-[[[(E,7S)-7-methoxytetradec-4-enoyl]-methyl-amino]methyl]vinyl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] acetate
IUPAC Name: [(1S,3R,4R,6S)-6-[(Z)-1-chloro-3-[[(E,7S)-7-methoxytetradec-4-enoyl]-methylamino]prop-1-en-2-yl]-4-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl] acetate
SYSTEMATIC NAME: [(1S,3R,4R,6S)-6-[(Z)-1-chloranyl-3-[[(E,7S)-7-methoxytetradec-4-enoyl]-methyl-amino]prop-1-en-2-yl]-4-methyl-5-oxidanylidene-7-oxabicyclo[4.1.0]heptan-3-yl] ethanoate
MOLECULAR FORMULA: C28H44ClNO6
MOLECULAR WEIGHT: 526.10506
SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)/[C@@]12[C@@H](O1)C[C@H]([C@H](C2=O)C)OC(=O)C)OC
Structure:
CAS RN: 69845-60-9
CAS Name: (2E,4E,6E,8E)-20-hydroxyeicosa-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-20-hydroxyicosa-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-20-hydroxyicosa-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-20-oxidanylicosa-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: C(CCCCC/C=C/C=C/C=C/C=C/C(=O)O)CCCCCO
Structure:
CAS RN: 69371-38-6
CAS Name: (5E,8Z,11Z,13Z)-15-hydroperoxyeicosa-5,8,11,13-tetraenoic acid
OPENEYE Name: (5E,8Z,11Z,13Z)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
IUPAC Name: (5E,8Z,11Z,13Z)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
SYSTEMATIC NAME: (5E,8Z,11Z,13Z)-15-(dioxidanyl)icosa-5,8,11,13-tetraenoic acid
MOLECULAR FORMULA: C20H32O4
MOLECULAR WEIGHT: 336.46568
SMILES: CCCCCC(/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O)OO
Structure:
CAS RN: 68862-28-2
CAS Name: (2S,3S,5S,8E,13R,14S)-2-amino-5,9,13,17-tetramethyloctadeca-8,16-diene-1,3,14-triol
OPENEYE Name: (2S,3S,5S,8E,13R,14S)-2-amino-5,9,13,17-tetramethyl-octadeca-8,16-diene-1,3,14-triol
IUPAC Name: (2S,3S,5S,8E,13R,14S)-2-amino-5,9,13,17-tetramethyloctadeca-8,16-diene-1,3,14-triol
SYSTEMATIC NAME: (2S,3S,5S,8E,13R,14S)-2-azanyl-5,9,13,17-tetramethyl-octadeca-8,16-diene-1,3,14-triol
MOLECULAR FORMULA: C22H43NO3
MOLECULAR WEIGHT: 369.58172
SMILES: C[C@@H](CC/C=C(\C)/CCC[C@@H](C)[C@H](CC=C(C)C)O)C[C@@H]([C@H](CO)N)O
Structure:
CAS RN: 68852-48-2
CAS Name: (E)-2-methyl-2-butenoic acid [(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(E)-2-methyl-1-oxobut-2-enoxy]-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
IUPAC Name: [(3S,3aR,4S,6S,6aS,9aS,9bS)-6-hydroxy-3,6,9-trimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
SYSTEMATIC NAME: [(3S,3aR,4S,6S,6aS,9aS,9bS)-3,6,9-trimethyl-3-[(E)-2-methylbut-2-enoyl]oxy-6-oxidanyl-2-oxidanylidene-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate
MOLECULAR FORMULA: C25H34O7
MOLECULAR WEIGHT: 446.53326
SMILES: C/C=C(\C)/C(=O)O[C@H]1C[C@]([C@H]2CC=C([C@H]2[C@H]3[C@@H]1[C@](C(=O)O3)(C)OC(=O)/C(=C/C)/C)C)(C)O
Structure:
CAS RN: 68838-36-8
CAS Name: 2-[5-[(2E)-2-[(2Z,5Z)-octa-2,5-dienylidene]-5-oxo-1-pyrrolidinyl]pentyl]guanidine
OPENEYE Name: 2-[5-[(2E)-2-[(2Z,5Z)-octa-2,5-dienylidene]-5-oxo-pyrrolidin-1-yl]pentyl]guanidine
IUPAC Name: 2-[5-[(2E)-2-[(2Z,5Z)-octa-2,5-dienylidene]-5-oxopyrrolidin-1-yl]pentyl]guanidine
SYSTEMATIC NAME: 2-[5-[(2E)-2-[(2Z,5Z)-octa-2,5-dienylidene]-5-oxidanylidene-pyrrolidin-1-yl]pentyl]guanidine
MOLECULAR FORMULA: C18H30N4O
MOLECULAR WEIGHT: 318.457
SMILES: CC/C=C\C/C=C\C=C\1/CCC(=O)N1CCCCCN=C(N)N
Structure:
CAS RN: 61498-90-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H39N5O9
MOLECULAR WEIGHT: 697.73366
SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 68684-42-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H39N5O9
MOLECULAR WEIGHT: 697.73366
SMILES: C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 68612-45-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: CCC(C)C(=O)OC1CC/C(=C\C2C(C3C=C1C(=O)O3)C(=C)C(=O)O2)/CO
Structure:
CAS RN: 68598-14-1
CAS Name: dodecyl-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-dimethylammonium chloride
OPENEYE Name: dodecyl-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-dimethyl-ammonium chloride
IUPAC Name: dodecyl-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-dimethylazanium chloride
SYSTEMATIC NAME: dodecyl-[[4-methoxy-3-[(Z)-2-nitroprop-1-enyl]phenyl]methyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C25H43ClN2O3
MOLECULAR WEIGHT: 455.07352
SMILES: CCCCCCCCCCCC[N+](C)(C)CC1=CC(=C(C=C1)OC)/C=C(/C)\[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 68762-78-7
CAS Name: (2S)-2-[[(Z)-2-acetamido-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-[[(Z)-2-acetamido-3-(2-thienyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: (2S)-2-[[(Z)-2-acetamido-3-thiophen-2-ylprop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(Z)-2-acetamido-3-thiophen-2-yl-prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C18H18N2O5S
MOLECULAR WEIGHT: 374.41092
SMILES: CC(=O)N/C(=C\C1=CC=CS1)/C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
Structure:
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