CAS RN: 107889-32-7
CAS Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-thiazolidinone
OPENEYE Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolidin-4-one
IUPAC Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C18H25NO2S
MOLECULAR WEIGHT: 319.4616
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)NCS2
Structure:
CAS RN: 107889-31-6
CAS Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-4-thiazolidinone
OPENEYE Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-3-methyl-thiazolidin-4-one
IUPAC Name: (5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5Z)-5-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C19H27NO2S
MOLECULAR WEIGHT: 333.48818
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N(CS2)C
Structure:
CAS RN: 107870-28-0
CAS Name: (1R,2Z,4R,8S)-8-hydroperoxy-1-methyl-7-methylene-4-propan-2-yl-1-cyclodec-2-enol
OPENEYE Name: (1R,2Z,4R,8S)-8-hydroperoxy-4-isopropyl-1-methyl-7-methylene-cyclodec-2-en-1-ol
IUPAC Name: (1R,2Z,4R,8S)-8-hydroperoxy-1-methyl-7-methylidene-4-propan-2-ylcyclodec-2-en-1-ol
SYSTEMATIC NAME: (1R,2Z,4R,8S)-8-(dioxidanyl)-1-methyl-7-methylidene-4-propan-2-yl-cyclodec-2-en-1-ol
MOLECULAR FORMULA: C15H26O3
MOLECULAR WEIGHT: 254.36514
SMILES: CC(C)[C@H]/1CCC(=C)[C@H](CC[C@@](/C=C1)(C)O)OO
Structure:
CAS RN: 107856-75-7
CAS Name: (1R,2R,4S,5Z,7S,10Z)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
OPENEYE Name: (1R,2R,4S,5Z,7S,10Z)-7-isopropyl-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
IUPAC Name: (1R,2R,4S,5Z,7S,10Z)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
SYSTEMATIC NAME: (1R,2R,4S,5Z,7S,10Z)-4,10,14-trimethyl-7-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-5,10-diene-2,4-diol
MOLECULAR FORMULA: C20H34O3
MOLECULAR WEIGHT: 322.48216
SMILES: C/C/1=C/CCC2([C@H](O2)[C@@H](C[C@](/C=C\[C@@H](CC1)C(C)C)(C)O)O)C
Structure:
CAS RN: 123438-35-7
CAS Name: 2,4-dimethyl-2-[[2,5,7,8-tetramethyl-6-oxo-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3,4-dihydro-1-benzopyran-8a-yl]dioxy]pentanenitrile
OPENEYE Name: 2,4-dimethyl-2-[[2,5,7,8-tetramethyl-6-oxo-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3,4-dihydrochromen-8a-yl]peroxy]pentanenitrile
IUPAC Name: 2,4-dimethyl-2-[[2,5,7,8-tetramethyl-6-oxo-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3,4-dihydrochromen-8a-yl]peroxy]pentanenitrile
SYSTEMATIC NAME: 2,4-dimethyl-2-[[2,5,7,8-tetramethyl-6-oxidanylidene-2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-3,4-dihydrochromen-8a-yl]peroxy]pentanenitrile
MOLECULAR FORMULA: C40H67NO4
MOLECULAR WEIGHT: 625.96428
SMILES: CC1=C(C2(C(=C(C1=O)C)CCC(O2)(C)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)OOC(C)(CC(C)C)C#N)C
Structure:
CAS RN: 123288-47-1
CAS Name: (Z)-6-[(1R,2R,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]-5-hexenoic acid decyl ester
OPENEYE Name: decyl (Z)-6-[(1S,2R,3R,4R)-3-[[(4-bromophenyl)sulfonylamino]methyl]norbornan-2-yl]hex-5-enoate
IUPAC Name: decyl (Z)-6-[(1R,2R,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoate
SYSTEMATIC NAME: decyl (Z)-6-[(1R,2R,3R,4S)-2-[[(4-bromophenyl)sulfonylamino]methyl]-3-bicyclo[2.2.1]heptanyl]hex-5-enoate
MOLECULAR FORMULA: C30H46BrNO4S
MOLECULAR WEIGHT: 596.65954
SMILES: CCCCCCCCCCOC(=O)CCC/C=C\[C@H]1[C@H]2CC[C@H](C2)[C@H]1CNS(=O)(=O)C3=CC=C(C=C3)Br
Structure:
CAS RN: 123284-04-8
CAS Name: (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyl-5-tetrazolyl)buta-1,3-dienyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyltetrazol-5-yl)buta-1,3-dienyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4S,6R)-6-[(1E)-4,4-bis(4-fluorophenyl)-3-(1-methyl-1,2,3,4-tetrazol-5-yl)buta-1,3-dienyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C23H20F2N4O3
MOLECULAR WEIGHT: 438.426706
SMILES: CN1C(=NN=N1)C(=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/[C@H]4C[C@@H](CC(=O)O4)O
Structure:
CAS RN: 123283-87-4
CAS Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methylpent-1-enyl]-5-methylenecyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methyl-pent-1-enyl]-5-methylene-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E)-3-hydroxy-4-methylpent-1-enyl]-5-methylidenecyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,3R)-5-methylidene-2-[(E)-4-methyl-3-oxidanyl-pent-1-enyl]-3-oxidanyl-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C19H30O4
MOLECULAR WEIGHT: 322.4391
SMILES: CC(C)C(/C=C/[C@H]1[C@@H](CC(=C)[C@@H]1C/C=C\CCCC(=O)O)O)O
Structure:
CAS RN: 123220-48-4
CAS Name: 1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene
OPENEYE Name: 1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene
IUPAC Name: 1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene
SYSTEMATIC NAME: 1,2,3-trimethoxy-5-[(1E,3E)-4-(3,4,5-trimethoxyphenyl)buta-1,3-dienyl]benzene
MOLECULAR FORMULA: C22H26O6
MOLECULAR WEIGHT: 386.43824
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C=C/C2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 123122-56-5
CAS Name: (Z)-7-[(1R,2R,5S)-2-(4-morpholinyl)-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R,5S)-2-morpholino-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxidanylidene-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C29H35NO5
MOLECULAR WEIGHT: 477.5919
SMILES: C1COCCN1[C@@H]2[C@H]([C@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)C/C=C\CCCC(=O)O
Structure:
CAS RN: 123068-35-9
CAS Name: (4R,5R,8R,9E)-9-ethylidene-5,8-dihydroxy-4-propyl-5,7,8,10-tetrahydro-4H-cyclonona[c]furan-1,3,6-trione
OPENEYE Name: (4R,5R,8R,9E)-9-ethylidene-5,8-dihydroxy-4-propyl-5,7,8,10-tetrahydro-4H-cyclonona[c]furan-1,3,6-trione
IUPAC Name: (4R,5R,8R,9E)-9-ethylidene-5,8-dihydroxy-4-propyl-5,7,8,10-tetrahydro-4H-cyclonona[c]furan-1,3,6-trione
SYSTEMATIC NAME: (4R,5R,8R,9E)-9-ethylidene-5,8-bis(oxidanyl)-4-propyl-5,7,8,10-tetrahydro-4H-cyclonona[c]furan-1,3,6-trione
MOLECULAR FORMULA: C16H20O6
MOLECULAR WEIGHT: 308.3264
SMILES: CCC[C@H]1[C@H](C(=O)C[C@H](/C(=C/C)/CC2=C1C(=O)OC2=O)O)O
Structure:
CAS RN: 123064-40-4
CAS Name: (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-4-[(2R)-3-methyl-2-propan-2-yl-2-oxiranyl]but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S)-17-[(E,1R)-3-[(2R)-2-isopropyl-3-methyl-oxiran-2-yl]-1-methyl-allyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-4-[(2R)-3-methyl-2-propan-2-yloxiran-2-yl]but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-4-[(2R)-3-methyl-2-propan-2-yl-oxiran-2-yl]but-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C29H46O2
MOLECULAR WEIGHT: 426.67434
SMILES: CC1[C@](O1)(/C=C/[C@@H](C)C2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C(C)C
Structure:
CAS RN: 107512-56-1
CAS Name: 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
OPENEYE Name: 2-(4-hydroxy-3-methoxy-phenyl)-N-[(Z)-octadec-9-enyl]acetamide
IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)-N-[(Z)-octadec-9-enyl]acetamide
SYSTEMATIC NAME: 2-(3-methoxy-4-oxidanyl-phenyl)-N-[(Z)-octadec-9-enyl]ethanamide
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: CCCCCCCC/C=C\CCCCCCCCNC(=O)CC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 123000-44-2
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(3aS,7aR)-1-[(E,2R,6S)-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-[(3aS,7aR)-1-[(E,1R,5S)-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-[(3aS,7aR)-1-[(E,2R,6S)-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-[(3aS,7aR)-7a-methyl-1-[(E,2R,6S)-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: CC[C@@](C)(C/C=C/[C@@H](C)C1CC[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: 70807-63-5
CAS Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]-1-pyridin-1-iumyl]-1-propanesulfonate
OPENEYE Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]vinyl]pyridin-1-ium-1-yl]propane-1-sulfonate
IUPAC Name: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
SYSTEMATIC NAME: 3-[4-[(E)-2-[4-(didecylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
MOLECULAR FORMULA: C36H58N2O3S
MOLECULAR WEIGHT: 598.92232
SMILES: CCCCCCCCCCN(CCCCCCCCCC)C1=CC=C(C=C1)/C=C/C2=CC=[N+](C=C2)CCCS(=O)(=O)[O-]
Structure:
CAS RN: 67358-41-2
CAS Name: (E)-3-(1H-imidazol-5-yl)-2-propenoic acid dodecyl ester hydrochloride
OPENEYE Name: dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate hydrochloride
IUPAC Name: dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate hydrochloride
SYSTEMATIC NAME: dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate hydrochloride
MOLECULAR FORMULA: C18H31ClN2O2
MOLECULAR WEIGHT: 342.90394
SMILES: CCCCCCCCCCCCOC(=O)/C=C/C1=CN=CN1.Cl
Structure:
CAS RN: 287714-41-4
CAS Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid
OPENEYE Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid
IUPAC Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
SYSTEMATIC NAME: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]-3,5-bis(oxidanyl)hept-6-enoic acid
MOLECULAR FORMULA: C22H28FN3O6S
MOLECULAR WEIGHT: 481.537623
SMILES: CC(C)C1=NC(=NC(=C1/C=C/[C@@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
Structure:
CAS RN: 122856-30-8
CAS Name: 4-methylhexanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylhexanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylhexanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylhexanoate
MOLECULAR FORMULA: C32H52NO10P
MOLECULAR WEIGHT: 641.729741
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CCC(C)CC)O)OP(=O)(O)O)O
Structure:
CAS RN: 122856-28-4
CAS Name: 4-methylpentanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 4-methylpentanoate
MOLECULAR FORMULA: C31H50NO10P
MOLECULAR WEIGHT: 627.703161
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CCC(C)C)O)OP(=O)(O)O)O
Structure:
CAS RN: 122856-27-3
CAS Name: 3-methylbutanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
MOLECULAR FORMULA: C30H48NO10P
MOLECULAR WEIGHT: 613.676581
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CC(C)C)O)OP(=O)(O)O)O
Structure:
CAS RN: 126643-52-5
CAS Name: 3-methylbutanoic acid [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] ester
OPENEYE Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
IUPAC Name: [3-[(1E,3E,9E)-8-(2-aminoethyl)-10-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-5,8-dihydroxy-7-phosphonooxydeca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
SYSTEMATIC NAME: [3-[(1E,3E,9E)-8-(2-azanylethyl)-10-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-5,8-bis(oxidanyl)-7-phosphonooxy-deca-1,3,9-trienyl]cyclohexyl] 3-methylbutanoate
MOLECULAR FORMULA: C30H48NO10P
MOLECULAR WEIGHT: 613.676581
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCC(C2)OC(=O)CC(C)C)O)OP(=O)(O)O)O
Structure:
CAS RN: 122856-26-2
CAS Name: [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
OPENEYE Name: [(4E,6E)-1-[(E)-1-(2-aminoethyl)-3-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxy-allyl]-7-cyclohexyl-3-hydroxy-hepta-4,6-dienyl] dihydrogen phosphate
IUPAC Name: [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(1E,7E,9E)-3-(2-azanylethyl)-10-cyclohexyl-1-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-3,6-bis(oxidanyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate
MOLECULAR FORMULA: C25H40NO8P
MOLECULAR WEIGHT: 513.560761
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCCC2)O)OP(=O)(O)O)O
Structure:
CAS RN: 124123-09-7
CAS Name: [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
OPENEYE Name: [(4E,6E)-1-[(E)-1-(2-aminoethyl)-3-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxy-allyl]-7-cyclohexyl-3-hydroxy-hepta-4,6-dienyl] dihydrogen phosphate
IUPAC Name: [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(1E,7E,9E)-3-(2-azanylethyl)-10-cyclohexyl-1-(3-ethyl-6-oxidanylidene-2,3-dihydropyran-2-yl)-3,6-bis(oxidanyl)deca-1,7,9-trien-4-yl] dihydrogen phosphate
MOLECULAR FORMULA: C25H40NO8P
MOLECULAR WEIGHT: 513.560761
SMILES: CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCCC2)O)OP(=O)(O)O)O
Structure:
CAS RN: 122744-25-6
CAS Name: 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoic acid methyl ester
OPENEYE Name: methyl 5-[(3aR,4R,5R,6aR)-5-hydroxy-4-[(E)-4-hydroxy-4-vinyl-oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodo-pentanoate
IUPAC Name: methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-hydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodopentanoate
SYSTEMATIC NAME: methyl 5-[(3aR,4R,5R,6aR)-4-[(E)-4-ethenyl-4-oxidanyl-oct-1-enyl]-5-oxidanyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-yl]-5-iodanyl-pentanoate
MOLECULAR FORMULA: C23H37IO5
MOLECULAR WEIGHT: 520.44135
SMILES: CCCCC(C/C=C/[C@H]1[C@@H](C[C@@H]2[C@@H]1CC(O2)C(CCCC(=O)OC)I)O)(C=C)O
Structure:
CAS RN: 122566-70-5
CAS Name: [(E)-hex-1-enyl]-oxido-[(2S)-3-oxobutan-2-yl]iminoammonium
OPENEYE Name: [(E)-hex-1-enyl]-[(1S)-1-methyl-2-oxo-propyl]imino-oxido-ammonium
IUPAC Name: [(E)-hex-1-enyl]-oxido-[(2S)-3-oxobutan-2-yl]iminoazanium
SYSTEMATIC NAME: [(E)-hex-1-enyl]-oxidanidyl-[(2S)-3-oxidanylidenebutan-2-yl]imino-azanium
MOLECULAR FORMULA: C10H18N2O2
MOLECULAR WEIGHT: 198.26212
SMILES: CCCC/C=C/[N+](=N[C@@H](C)C(=O)C)[O-]
Structure:
CAS RN: 122566-12-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H29ClN2O4
MOLECULAR WEIGHT: 505.00456
SMILES: C1CC1CN2CCC34[C@H]5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)/C=C/C7=CC=C(C=C7)Cl
Structure:
CAS RN: 122548-03-2
CAS Name: (2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]-1-oxoethyl]-3-(3,4-dihydroxyphenyl)propanamide
OPENEYE Name: (2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)vinyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide
IUPAC Name: (2S)-2-amino-N-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]-N-[2-[[(Z)-2-(6-bromo-1H-indol-3-yl)ethenyl]amino]acetyl]-3-(3,4-dihydroxyphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-azanyl-N-[(2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3-[3,4-bis(oxidanyl)phenyl]-N-[2-[[(Z)-2-(6-bromanyl-1H-indol-3-yl)ethenyl]amino]ethanoyl]propanamide
MOLECULAR FORMULA: C27H28BrN7O5
MOLECULAR WEIGHT: 610.45912
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)N(C(=O)CN/C=C\C2=CNC3=C2C=CC(=C3)Br)C(=O)[C@H](CC4=CN=CN4)N)N)O)O
Structure:
CAS RN: 122547-72-2
CAS Name: (1S,2S,3Z,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
OPENEYE Name: (1S,2S,3Z,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
IUPAC Name: (1S,2S,3Z,5R,6S,11S,14S,15R,16R,17S,18S)-15,17-dihydroxy-5,6,16-trimethoxy-2,14,18-trimethyl-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
SYSTEMATIC NAME: (1S,2S,3Z,5R,6S,11S,14S,15R,16R,17S,18S)-5,6,16-trimethoxy-2,14,18-trimethyl-15,17-bis(oxidanyl)-11-phenyl-12,19-dioxabicyclo[13.3.1]nonadec-3-en-13-one
MOLECULAR FORMULA: C29H44O8
MOLECULAR WEIGHT: 520.65486
SMILES: C[C@H]1/C=C\[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)C3=CC=CC=C3)OC)OC
Structure:
CAS RN: 122547-71-1
CAS Name: [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoammonium
OPENEYE Name: [(E)-hex-1-enyl]-[(1S,2S)-2-hydroxy-1-methyl-propyl]imino-oxido-ammonium
IUPAC Name: [(E)-hex-1-enyl]-[(2S,3S)-3-hydroxybutan-2-yl]imino-oxidoazanium
SYSTEMATIC NAME: [(E)-hex-1-enyl]-oxidanidyl-[(2S,3S)-3-oxidanylbutan-2-yl]imino-azanium
MOLECULAR FORMULA: C10H20N2O2
MOLECULAR WEIGHT: 200.278
SMILES: CCCC/C=C/[N+](=N[C@@H](C)[C@H](C)O)[O-]
Structure:
CAS RN: 122458-81-5
CAS Name: (6E,11E)-eicosa-6,11-dienoic acid
OPENEYE Name: (6E,11E)-icosa-6,11-dienoic acid
IUPAC Name: (6E,11E)-icosa-6,11-dienoic acid
SYSTEMATIC NAME: (6E,11E)-icosa-6,11-dienoic acid
MOLECULAR FORMULA: C20H36O2
MOLECULAR WEIGHT: 308.49864
SMILES: CCCCCCCC/C=C/CCC/C=C/CCCCC(=O)O
Structure:
CAS RN: 122427-16-1
CAS Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-hydroxypiperidine
OPENEYE Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)allyl]-1-hydroxy-piperidine
IUPAC Name: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-hydroxypiperidine
SYSTEMATIC NAME: 2-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl]-1-oxidanyl-piperidine
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: C1CCN(C(C1)C/C=C/C2=CC3=C(C=C2)OCO3)O
Structure:
CAS RN: 122408-83-7
CAS Name: 1a-(fluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
OPENEYE Name: 1a-(fluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
IUPAC Name: 1a-(fluoromethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
SYSTEMATIC NAME: 1a-(fluoranylmethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
MOLECULAR FORMULA: C31H45FO3
MOLECULAR WEIGHT: 484.685603
SMILES: CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)CF)/C
Structure:
CAS RN: 69900-71-6
CAS Name: (Z)-7-[(1R,2R)-2-[(E,3R,4R)-4-fluoro-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2R)-2-[(E,3R,4R)-4-fluoro-3-hydroxy-oct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2R)-2-[(E,3R,4R)-4-fluoro-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2R)-2-[(E,3R,4R)-4-fluoranyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]hept-5-enoic acid
MOLECULAR FORMULA: C20H31FO4
MOLECULAR WEIGHT: 354.456143
SMILES: CCCC[C@H]([C@@H](/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)F
Structure:
CAS RN: 69768-97-4
CAS Name: (E)-4-(3,4-dimethoxyphenyl)-3-buten-1-ol
OPENEYE Name: (E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
IUPAC Name: (E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
SYSTEMATIC NAME: (E)-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC1=C(C=C(C=C1)/C=C/CCO)OC
Structure:
CAS RN: 69619-20-1
CAS Name: (E)-5-amino-2-pentenoic acid
OPENEYE Name: (E)-5-aminopent-2-enoic acid
IUPAC Name: (E)-5-aminopent-2-enoic acid
SYSTEMATIC NAME: (E)-5-azanylpent-2-enoic acid
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C(CN)/C=C/C(=O)O
Structure:
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