CAS RN: 103810-85-1
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid (4-acetamidophenyl) ester
OPENEYE Name: (4-acetamidophenyl) (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
IUPAC Name: (4-acetamidophenyl) (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: (4-acetamidophenyl) (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C28H35NO3
MOLECULAR WEIGHT: 433.5824
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)OC2=CC=C(C=C2)NC(=O)C)\C)/C
Structure:
CAS RN: 103732-08-7
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methyloct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,1R)-5-hydroxy-1,5-dimethyl-hept-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methyloct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(E,2R)-6-methyl-6-oxidanyl-oct-3-en-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: CCC(C)(C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@H](C3=C)O)O)C)O
Structure:
CAS RN: 103656-40-2
CAS Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol
OPENEYE Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(6-hydroxy-1,6-dimethyl-heptyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol
IUPAC Name: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-(7-hydroxy-7-methyloctan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
SYSTEMATIC NAME: (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(7-methyl-7-oxidanyl-octan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C28H46O3
MOLECULAR WEIGHT: 430.66304
SMILES: CC(CCCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O)O)C
Structure:
CAS RN: 103638-37-5
CAS Name: (1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylene-1-cyclohexanol
OPENEYE Name: (1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylene-cyclohexanol
IUPAC Name: (1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoro-4-methylidenecyclohexan-1-ol
SYSTEMATIC NAME: (1S,2S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-fluoranyl-4-methylidene-cyclohexan-1-ol
MOLECULAR FORMULA: C27H43FO
MOLECULAR WEIGHT: 402.628123
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H]([C@H](CC3=C)F)O)C
Structure:
CAS RN: 103527-98-6
CAS Name: 2-[(5-carboxy-4-hydroxy-2-methylheptan-3-yl)amino]-N-methoxy-2-oxoethanimine oxide
OPENEYE Name: 2-[(3-carboxy-2-hydroxy-1-isopropyl-pentyl)amino]-N-methoxy-2-oxo-ethanimine oxide
IUPAC Name: 2-[(5-carboxy-4-hydroxy-2-methylheptan-3-yl)amino]-N-methoxy-2-oxoethanimine oxide
SYSTEMATIC NAME: 2-[(5-carboxy-2-methyl-4-oxidanyl-heptan-3-yl)amino]-N-methoxy-2-oxidanylidene-ethanimine oxide
MOLECULAR FORMULA: C12H22N2O6
MOLECULAR WEIGHT: 290.31288
SMILES: CCC(C(C(C(C)C)NC(=O)/C=[N+](\[O-])/OC)O)C(=O)O
Structure:
CAS RN: 103527-97-5
CAS Name: 2-[(5-carboxy-4-hydroxy-2-methylhexan-3-yl)amino]-N-methoxy-2-oxoethanimine oxide
OPENEYE Name: 2-[(3-carboxy-2-hydroxy-1-isopropyl-butyl)amino]-N-methoxy-2-oxo-ethanimine oxide
IUPAC Name: 2-[(5-carboxy-4-hydroxy-2-methylhexan-3-yl)amino]-N-methoxy-2-oxoethanimine oxide
SYSTEMATIC NAME: 2-[[2,5-dimethyl-4,6-bis(oxidanyl)-6-oxidanylidene-hexan-3-yl]amino]-N-methoxy-2-oxidanylidene-ethanimine oxide
MOLECULAR FORMULA: C11H20N2O6
MOLECULAR WEIGHT: 276.2863
SMILES: CC(C)C(C(C(C)C(=O)O)O)NC(=O)/C=[N+](\[O-])/OC
Structure:
CAS RN: 103499-68-9
CAS Name: (E)-2-methyl-3-phenyl-2-propenoic acid (4-carbamimidoylphenyl) ester
OPENEYE Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-phenyl-prop-2-enoate
IUPAC Name: (4-carbamimidoylphenyl) (E)-2-methyl-3-phenylprop-2-enoate
SYSTEMATIC NAME: (4-carbamimidoylphenyl) (E)-2-methyl-3-phenyl-prop-2-enoate
MOLECULAR FORMULA: C17H16N2O2
MOLECULAR WEIGHT: 280.32114
SMILES: C/C(=C\C1=CC=CC=C1)/C(=O)OC2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 103499-67-8
CAS Name: (E)-3-phenyl-2-propenoic acid (4-carbamimidoylphenyl) ester
OPENEYE Name: (4-carbamimidoylphenyl) (E)-3-phenylprop-2-enoate
IUPAC Name: (4-carbamimidoylphenyl) (E)-3-phenylprop-2-enoate
SYSTEMATIC NAME: (4-carbamimidoylphenyl) (E)-3-phenylprop-2-enoate
MOLECULAR FORMULA: C16H14N2O2
MOLECULAR WEIGHT: 266.29456
SMILES: C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)C(=N)N
Structure:
CAS RN: 103425-50-9
CAS Name: 2-methylpropanoic acid [(3aS,4S,5R,6Z,10Z,11aR)-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-5-yl] ester
OPENEYE Name: [(3aS,4S,5R,6Z,10Z,11aR)-3a,4-dihydroxy-6,10-dimethyl-3-methylene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-5-yl] 2-methylpropanoate
IUPAC Name: [(3aS,4S,5R,6Z,10Z,11aR)-3a,4-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-5-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(3aS,4S,5R,6Z,10Z,11aR)-6,10-dimethyl-3-methylidene-3a,4-bis(oxidanyl)-2-oxidanylidene-5,8,9,11a-tetrahydro-4H-cyclodeca[b]furan-5-yl] 2-methylpropanoate
MOLECULAR FORMULA: C19H26O6
MOLECULAR WEIGHT: 350.40614
SMILES: C/C/1=C/[C@@H]2[C@@]([C@H]([C@@H](/C(=C\CC1)/C)OC(=O)C(C)C)O)(C(=C)C(=O)O2)O
Structure:
CAS RN: 103424-62-0
CAS Name: (E)-17-tetracosenal
OPENEYE Name: (E)-tetracos-17-enal
IUPAC Name: (E)-tetracos-17-enal
SYSTEMATIC NAME: (E)-tetracos-17-enal
MOLECULAR FORMULA: C24H46O
MOLECULAR WEIGHT: 350.62144
SMILES: CCCCCC/C=C/CCCCCCCCCCCCCCCC=O
Structure:
CAS RN: 103348-49-8
CAS Name: (E,2S,3R)-2-azido-4-octadecene-1,3-diol
OPENEYE Name: (E,2S,3R)-2-azidooctadec-4-ene-1,3-diol
IUPAC Name: (E,2S,3R)-2-azidooctadec-4-ene-1,3-diol
SYSTEMATIC NAME: (E,2S,3R)-2-azidooctadec-4-ene-1,3-diol
MOLECULAR FORMULA: C18H35N3O2
MOLECULAR WEIGHT: 325.4894
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N=[N+]=[N-])O
Structure:
CAS RN: 105284-21-7
CAS Name: (4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
OPENEYE Name: (4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxy-prop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
IUPAC Name: (4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-hydroxyprop-1-ynyl]-4-hydroxy-8-bicyclo[4.2.0]octanylidene]butanoic acid
SYSTEMATIC NAME: (4E)-4-[(1R,4S,5R,6S)-5-[(3S)-3-cyclohexyl-3-oxidanyl-prop-1-ynyl]-4-oxidanyl-8-bicyclo[4.2.0]octanylidene]butanoic acid
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: C1CCC(CC1)[C@@H](C#C[C@@H]2[C@H](CC[C@@H]\3[C@@H]2C/C3=C\CCC(=O)O)O)O
Structure:
CAS RN: 66767-75-7
CAS Name: [2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [2-hexadecoxy-3-[(Z)-octadec-9-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C42H86NO6P
MOLECULAR WEIGHT: 732.109101
SMILES: CCCCCCCCCCCCCCCCOC(COCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Structure:
CAS RN: 66757-07-1
CAS Name: (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethyl-phenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,3,6-trimethyl-4-oxidanyl-phenyl)nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C22H28O3
MOLECULAR WEIGHT: 340.45592
SMILES: CCOC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C(=C(C=C1C)O)C)C
Structure:
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