CAS RN: 127760-15-0
CAS Name: 3-[3-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propyl-dimethylsilyl]propanoic acid
OPENEYE Name: 3-[3-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propyl-dimethyl-silyl]propanoic acid
IUPAC Name: 3-[3-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]propyl-dimethylsilyl]propanoic acid
SYSTEMATIC NAME: 3-[dimethyl-[3-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]propyl]silyl]propanoic acid
MOLECULAR FORMULA: C21H38O4Si
MOLECULAR WEIGHT: 382.60952
SMILES: CCCCC[C@H](/C=C/[C@H]1CCC(=O)[C@@H]1CCC[Si](C)(C)CCC(=O)O)O
Structure:
CAS RN: 127663-98-3
CAS Name: (11Z,13E)-6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
OPENEYE Name: (11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
IUPAC Name: (11Z,13E)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SYSTEMATIC NAME: (11Z,13E)-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
MOLECULAR FORMULA: C29H49NO6
MOLECULAR WEIGHT: 507.70246
SMILES: CCC1C(/C=C/C=C\C(=O)C(CC(C(C(CCC(=O)O1)C)OC2C(C(CC(O2)C)N(C)C)O)C)C)C
Structure:
CAS RN: 127231-62-3
CAS Name: phosphono [(2E,7R)-3,7,11-trimethyldodeca-2,10-dienyl] hydrogen phosphate
OPENEYE Name: phosphono [(2E,7R)-3,7,11-trimethyldodeca-2,10-dienyl] hydrogen phosphate
IUPAC Name: phosphono [(2E,7R)-3,7,11-trimethyldodeca-2,10-dienyl] hydrogen phosphate
SYSTEMATIC NAME: phosphono [(2E,7R)-3,7,11-trimethyldodeca-2,10-dienyl] hydrogen phosphate
MOLECULAR FORMULA: C15H30O7P2
MOLECULAR WEIGHT: 384.342022
SMILES: C[C@H](CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)CCC=C(C)C
Structure:
CAS RN: 127172-90-1
CAS Name: 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
OPENEYE Name: methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylate
IUPAC Name: methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylate
MOLECULAR FORMULA: C22H20O7
MOLECULAR WEIGHT: 396.39
SMILES: CC/C(=C/C)/CC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O)C(=O)OC
Structure:
CAS RN: 127127-92-8
CAS Name: 2-[2-[(1R,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
OPENEYE Name: 2-[2-[(1R,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxy-pent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
IUPAC Name: 2-[2-[(1R,2S,3aR,7aR)-2-hydroxy-1-[(E,3R)-3-hydroxy-4-methyl-4-phenoxypent-1-enyl]-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid
SYSTEMATIC NAME: 2-[2-[(1R,2S,3aR,7aR)-1-[(E,3R)-4-methyl-3-oxidanyl-4-phenoxy-pent-1-enyl]-2-oxidanyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]ethanoic acid
MOLECULAR FORMULA: C25H34O6
MOLECULAR WEIGHT: 430.53386
SMILES: CC(C)([C@@H](/C=C/[C@@H]1[C@@H]2CCC(=C[C@@H]2C[C@@H]1O)CCOCC(=O)O)O)OC3=CC=CC=C3
Structure:
CAS RN: 126871-92-9
CAS Name: [4-(1-diazonio-2,2,2-trifluoroethylidene)-1-cyclohexa-2,5-dienylidene]-[4-[17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4
OPENEYE Name: [4-(1-diazonio-2,2,2-trifluoro-ethylidene)cyclohexa-2,5-dien-1-ylidene]-[4-[17-ethyl-14-[(E)-1-hydroxy-2-methyl-hex-4-enyl]-5,8,23,29-tetraisobutyl-11,26-diisopropyl-4,7,10,13,19,22,28,32-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,1
IUPAC Name: [4-(1-diazonio-2,2,2-trifluoroethylidene)cyclohexa-2,5-dien-1-ylidene]-[4-[17-ethyl-14-[(E)-1-hydroxy-2-methylhex-4-enyl]-4,7,10,13,19,22,28,32-octamethyl-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-11,26-di(propan-2-yl)-1,4
SYSTEMATIC NAME: [4-[1-diazonio-2,2,2-tris(fluoranyl)ethylidene]cyclohexa-2,5-dien-1-ylidene]-[4-[17-ethyl-4,7,10,13,19,22,28,32-octamethyl-14-[(E)-2-methyl-1-oxidanyl-hex-4-enyl]-5,8,23,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-11
MOLECULAR FORMULA: C74H121F3N14O13
MOLECULAR WEIGHT: 1471.83375
SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)CCCCNC(=C2C=CC(=C(C(F)(F)F)[N+]#N)C=C2)[O-])C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 126857-81-6
CAS Name: (E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-pyrrolyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-pyrrol-3-yl)prop-2-enoate
MOLECULAR FORMULA: C13H20NO3
MOLECULAR WEIGHT: 238.3028
SMILES: CCOC(=O)/C=C/C1=CC(N(C1(C)C)[O])(C)C
Structure:
CAS RN: 126779-21-3
CAS Name: (11Z)-3-hexadeca-1,11-dienone
OPENEYE Name: (11Z)-hexadeca-1,11-dien-3-one
IUPAC Name: (11Z)-hexadeca-1,11-dien-3-one
SYSTEMATIC NAME: (11Z)-hexadeca-1,11-dien-3-one
MOLECULAR FORMULA: C16H28O
MOLECULAR WEIGHT: 236.39292
SMILES: CCCC/C=C\CCCCCCCC(=O)C=C
Structure:
CAS RN: 126770-37-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H42O3
MOLECULAR WEIGHT: 450.65268
SMILES: C/C/1=C\CCC2=CC3(C/C(=C/CC1)/C)C4C5C(CC/C(=C\CCC4(C2O3)C(=O)O5)/C)C(C)C
Structure:
CAS RN: 126605-70-7
CAS Name: 2-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] 2-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] 2-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] 2-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)C(C)CC)O)OP(=O)(O)O)O
Structure:
CAS RN: 126688-54-8
CAS Name: 2-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] 2-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] 2-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] 2-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)C(C)CC)O)OP(=O)(O)O)O
Structure:
CAS RN: 126453-63-2
CAS Name: (E)-3-methyl-2-pentenoic acid [(1S,3aS,5S,7R,7aR)-1-(1-acetyloxyethyl)-4-methylene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] ester
OPENEYE Name: [(1S,3aS,5S,7R,7aR)-1-(1-acetoxyethyl)-7-isopropyl-4-methylene-2-oxo-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
IUPAC Name: [(1S,3aS,5S,7R,7aR)-1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
SYSTEMATIC NAME: [(1S,3aS,5S,7R,7aR)-1-(1-acetyloxyethyl)-4-methylidene-2-oxidanylidene-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate
MOLECULAR FORMULA: C23H34O5
MOLECULAR WEIGHT: 390.51306
SMILES: CC/C(=C/C(=O)O[C@H]1C[C@@H]([C@@H]2[C@@H](C1=C)CC(=O)[C@@H]2C(C)OC(=O)C)C(C)C)/C
Structure:
CAS RN: 126267-95-6
CAS Name: 2-methyl-3-[(3Z,7Z,11Z,15Z)-3,7,12,16,20-pentamethylheneicosa-3,7,11,15,19-pentaenyl]oxaziridine
OPENEYE Name: 2-methyl-3-[(3Z,7Z,11Z,15Z)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxaziridine
IUPAC Name: 2-methyl-3-[(3Z,7Z,11Z,15Z)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxaziridine
SYSTEMATIC NAME: 2-methyl-3-[(3Z,7Z,11Z,15Z)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]-1,2-oxaziridine
MOLECULAR FORMULA: C28H47NO
MOLECULAR WEIGHT: 413.67888
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C=C(/C)\CC/C=C(/C)\CCC1N(O1)C)/C)/C)C
Structure:
CAS RN: 126201-34-1
CAS Name: (5Z,9Z)-23-methylpentacosa-5,9-dienoic acid
OPENEYE Name: (5Z,9Z)-23-methylpentacosa-5,9-dienoic acid
IUPAC Name: (5Z,9Z)-23-methylpentacosa-5,9-dienoic acid
SYSTEMATIC NAME: (5Z,9Z)-23-methylpentacosa-5,9-dienoic acid
MOLECULAR FORMULA: C26H48O2
MOLECULAR WEIGHT: 392.65812
SMILES: CCC(C)CCCCCCCCCCCC/C=C\CC/C=C\CCCC(=O)O
Structure:
CAS RN: 126059-69-6
CAS Name: 4-(4-fluorophenyl)-3-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-2-oxanyl]ethenyl]-2-propan-2-yl-1-isoquinolinone
OPENEYE Name: 4-(4-fluorophenyl)-3-[(E)-2-[(2S,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]vinyl]-2-isopropyl-isoquinolin-1-one
IUPAC Name: 4-(4-fluorophenyl)-3-[(E)-2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethenyl]-2-propan-2-ylisoquinolin-1-one
SYSTEMATIC NAME: 4-(4-fluorophenyl)-3-[(E)-2-[(2S,4R)-4-oxidanyl-6-oxidanylidene-oxan-2-yl]ethenyl]-2-propan-2-yl-isoquinolin-1-one
MOLECULAR FORMULA: C25H24FNO4
MOLECULAR WEIGHT: 421.460763
SMILES: CC(C)N1C(=C(C2=CC=CC=C2C1=O)C3=CC=C(C=C3)F)/C=C/[C@@H]4C[C@H](CC(=O)O4)O
Structure:
CAS RN: 125939-05-1
CAS Name: cobalt(3+); [4-hydroxy-2-(hydroxymethyl)-5-phenoxy-3-oxolanyl] 1-[[1-oxo-3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl hy
OPENEYE Name: cobaltic [4-hydroxy-2-(hydroxymethyl)-5-phenoxy-tetrahydrofuran-3-yl] [1-methyl-2-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]
IUPAC Name: cobalt(3+); [4-hydroxy-2-(hydroxymethyl)-5-phenoxyoxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl hydroge
SYSTEMATIC NAME: cobalt(3+); [2-(hydroxymethyl)-4-oxidanyl-5-phenoxy-oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoy
MOLECULAR FORMULA: C60H87CoN12O16P+
MOLECULAR WEIGHT: 1322.310541
SMILES: C/C/1=C/2\C(C(C([N-]2)C3(C(C(C(=N3)/C(=C\4/C(C(C(=N4)/C=C\5/C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OC6C(OC(C6O)OC7=CC=CC=C7)CO.[C-]#N.O.[Co+3]
Structure:
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