CAS RN: 103305-11-9
CAS Name: (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-4-heptene-1,2,3-triol
OPENEYE Name: (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol
IUPAC Name: (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethylhept-4-ene-1,2,3-triol
SYSTEMATIC NAME: (E,3R,6R)-6-[(1R,3aS,4Z,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2,3-dimethyl-hept-4-ene-1,2,3-triol
MOLECULAR FORMULA: C28H44O5
MOLECULAR WEIGHT: 460.64596
SMILES: C[C@H](/C=C/[C@](C)(C(C)(CO)O)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: 103305-10-8
CAS Name: (2S)-2-[(E,3R)-3-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
OPENEYE Name: (2S)-2-[(E,3R)-3-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methyl-butane-1,2,3-triol
IUPAC Name: (2S)-2-[(E,3R)-3-[(1R,3aS,4Z,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methylbutane-1,2,3-triol
SYSTEMATIC NAME: (2S)-2-[(E,3R)-3-[(1R,3aS,4Z,7aR)-7a-methyl-4-[(2Z)-2-[(3S,5R)-2-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]but-1-enyl]-3-methyl-butane-1,2,3-triol
MOLECULAR FORMULA: C28H44O5
MOLECULAR WEIGHT: 460.64596
SMILES: C[C@H](/C=C/[C@](CO)(C(C)(C)O)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: 65848-03-5
CAS Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxybenzoic acid
OPENEYE Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxy-benzoic acid
IUPAC Name: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-hydroxybenzoic acid
SYSTEMATIC NAME: 3-[(2Z,6Z,10Z,14Z,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-4-oxidanyl-benzoic acid
MOLECULAR FORMULA: C37H54O3
MOLECULAR WEIGHT: 546.82286
SMILES: CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC1=C(C=CC(=C1)C(=O)O)O)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 65811-39-4
CAS Name: (2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
OPENEYE Name: (2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,6,10,14-tetraenoic acid
IUPAC Name: (2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoic acid
SYSTEMATIC NAME: (2E,6Z,10E)-7-(hydroxymethyl)-3,11,15-trimethyl-hexadeca-2,6,10,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/C(=O)O)/C)/CO)/C)C
Structure:
CAS RN: 103190-36-9
CAS Name: N,N'-bis[(3,4-dimethoxyphenyl)methyl]-N'-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]ethane-1,2-diamine
OPENEYE Name: N,N'-bis[(3,4-dimethoxyphenyl)methyl]-N'-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]ethane-1,2-diamine
IUPAC Name: N,N'-bis[(3,4-dimethoxyphenyl)methyl]-N'-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]ethane-1,2-diamine
SYSTEMATIC NAME: N,N'-bis[(3,4-dimethoxyphenyl)methyl]-N'-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]ethane-1,2-diamine
MOLECULAR FORMULA: C65H100N2O4
MOLECULAR WEIGHT: 973.5005
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CN(CCNCC1=CC(=C(C=C1)OC)OC)CC2=CC(=C(C=C2)OC)OC)/C)/C)/C)/C)/C)/C)/C)/C)C
Structure:
CAS RN: 103188-12-1
CAS Name: (5Z,8Z,10R)-10-hydroxy-10-[(2S)-2-octa-5,6-dien-4-yl-2-oxiranyl]deca-5,8-dienoic acid
OPENEYE Name: (5Z,8Z,10R)-10-hydroxy-10-[(2S)-2-(1-propylpenta-2,3-dienyl)oxiran-2-yl]deca-5,8-dienoic acid
IUPAC Name: (5Z,8Z,10R)-10-hydroxy-10-[(2S)-2-octa-5,6-dien-4-yloxiran-2-yl]deca-5,8-dienoic acid
SYSTEMATIC NAME: (5Z,8Z,10R)-10-[(2S)-2-octa-5,6-dien-4-yloxiran-2-yl]-10-oxidanyl-deca-5,8-dienoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CCCC(C=C=CC)[C@]1(CO1)[C@@H](/C=C\C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 103147-89-3
CAS Name: [(2R,3R,4S,5R,6R)-6-[[(2S,3R,5S,6R)-4-[[(2R,3R,4R,5R,6R)-3-acetamido-4-[[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxy-2-oxanyl]oxy]-5-hydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[[2-aminoethyl(hydroxy)phosphoryl]oxymethyl]-2-[[(2R,3S,4R,5R,6R)
OPENEYE Name: [(2R,3R,4S,5R,6R)-6-[(2S,3R,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-[[2-aminoethyl(hydroxy)phosphoryl]oxymethyl]-2-
IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2S,3R,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[2-aminoethyl(hydroxy)phosphoryl]oxymethyl]-2-[(2R,3S,4R,5R,6R)-6-[(E
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-6-[(2S,3R,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-2-yl]oxy-6-[[2-azanylethyl(oxidanyl)phosphoryl]oxymethyl]-2-[(2R,3S,4R,5R,6
MOLECULAR FORMULA: C71H134N4O32P2
MOLECULAR WEIGHT: 1617.778782
SMILES: CCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H](C([C@H]([C@H](O2)COP(=O)(CCN)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)OC)O)NC(=O)C)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COP(=O)(CC
Structure:
CAS RN: 103106-24-7
CAS Name: (3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g][1]benzopyran-5,10-dione
OPENEYE Name: (3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
IUPAC Name: (3R,4aR,10aS)-3,4a-dichloro-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-6,8-dihydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SYSTEMATIC NAME: (3R,4aR,10aS)-3,4a-bis(chloranyl)-10a-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2-dimethyl-6,8-bis(oxidanyl)-3,4-dihydrobenzo[g]chromene-5,10-dione
MOLECULAR FORMULA: C25H30Cl2O5
MOLECULAR WEIGHT: 481.4087
SMILES: CC(=CCC/C(=C/C[C@]12C(=O)C3=CC(=CC(=C3C(=O)[C@]1(C[C@H](C(O2)(C)C)Cl)Cl)O)O)/C)C
Structure:
CAS RN: 103106-20-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H28Cl2O5
MOLECULAR WEIGHT: 479.39282
SMILES: C/C/1=C\CC23C(=O)C4=CC(=C(C/C(=C\CC1)/C)C(=C4C(=O)C2(CC(C(O3)(C)C)Cl)Cl)O)O
Structure:
CAS RN: 103106-19-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H27Cl3O5
MOLECULAR WEIGHT: 513.83788
SMILES: C/C/1=C\CC23C(=O)C4=CC(=C(CC(=C)C(CC1)Cl)C(=C4C(=O)C2(CC(C(O3)(C)C)Cl)Cl)O)O
Structure:
CAS RN: 103301-70-8
CAS Name: (5E,9E,14E,17E)-8,11,12-trihydroxyeicosa-5,9,14,17-tetraenoic acid
OPENEYE Name: (5E,9E,14E,17E)-8,11,12-trihydroxyicosa-5,9,14,17-tetraenoic acid
IUPAC Name: (5E,9E,14E,17E)-8,11,12-trihydroxyicosa-5,9,14,17-tetraenoic acid
SYSTEMATIC NAME: (5E,9E,14E,17E)-8,11,12-tris(oxidanyl)icosa-5,9,14,17-tetraenoic acid
MOLECULAR FORMULA: C20H32O5
MOLECULAR WEIGHT: 352.46508
SMILES: CC/C=C/C/C=C/CC(C(/C=C/C(C/C=C/CCCC(=O)O)O)O)O
Structure:
CAS RN: 103188-13-2
CAS Name: (5E,9E)-8-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]-2-oxiranyl]deca-5,9-dienoic acid
OPENEYE Name: (5E,9E)-8-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,9-dienoic acid
IUPAC Name: (5E,9E)-8-hydroxy-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]deca-5,9-dienoic acid
SYSTEMATIC NAME: (5E,9E)-10-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]-8-oxidanyl-deca-5,9-dienoic acid
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: CC/C=C/C/C=C/CC1C(O1)/C=C/C(C/C=C/CCCC(=O)O)O
Structure:
CAS RN: 103001-17-8
CAS Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,2S,3S,4S)-3-(hexoxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
MOLECULAR FORMULA: C20H34O4
MOLECULAR WEIGHT: 338.48156
SMILES: CCCCCCOC[C@H]1[C@@H]2CC[C@H]([C@H]1C/C=C\CCCC(=O)O)O2
Structure:
CAS RN: 102852-49-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H34O11
MOLECULAR WEIGHT: 558.57366
SMILES: CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)/C=C/C=C/C(=O)OC7C3(C8(CO8)C(C7)O2)C
Structure:
CAS RN: 102819-46-5
CAS Name: 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid
OPENEYE Name: 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid
IUPAC Name: 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(Z)-2-ethylbut-2-enyl]-1,6,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: CC/C(=C/C)/CC1=C(C(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O)C(=O)O
Structure:
CAS RN: 102769-45-9
CAS Name: (Z)-7-[(1R,4R,5S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4-bicyclo[3.1.0]hexanyl]-5-heptenoic acid
OPENEYE Name: (Z)-7-[(1R,4R,5S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-enoic acid
IUPAC Name: (Z)-7-[(1R,4R,5S)-5-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-enoic acid
SYSTEMATIC NAME: (Z)-7-[(1R,4R,5S)-3-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]-4-bicyclo[3.1.0]hexanyl]hept-5-enoic acid
MOLECULAR FORMULA: C21H32O4
MOLECULAR WEIGHT: 348.47638
SMILES: CCCCC[C@@H](/C=C/[C@]12C[C@@H]1CC(=O)[C@@H]2C/C=C\CCCC(=O)O)O
Structure:
CAS RN: 103009-91-2
CAS Name: (2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2-nonoxyphenyl)nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C26H36O3
MOLECULAR WEIGHT: 396.56224
SMILES: CCCCCCCCCOC1=CC=CC=C1/C=C\C(=C/C=C\C(=C/C(=O)O)\C)\C
Structure:
CAS RN: 102719-86-8
CAS Name: (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
IUPAC Name: [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C15H18O7
MOLECULAR WEIGHT: 310.29922
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)O
Structure:
CAS RN: 102714-70-5
CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-(4-azidophenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(4-azidophenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-3-(4-azidophenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-(4-azidophenyl)prop-2-en-1-one
MOLECULAR FORMULA: C23H24N8O3
MOLECULAR WEIGHT: 460.48846
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)/C=C/C4=CC=C(C=C4)N=[N+]=[N-])N)OC
Structure:
CAS RN: 102714-66-9
CAS Name: (2E)-2-ethylidenebutanedioic acid
OPENEYE Name: (2E)-2-ethylidenebutanedioic acid
IUPAC Name: (2E)-2-ethylidenebutanedioic acid
SYSTEMATIC NAME: (2E)-2-ethylidenebutanedioic acid
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: C/C=C(\CC(=O)O)/C(=O)O
Structure:
CAS RN: 102692-05-7
CAS Name: 2-[(4-amino-4-oxobutyl)amino]-N-methoxy-2-oxoethanimine oxide
OPENEYE Name: 2-[(4-amino-4-oxo-butyl)amino]-N-methoxy-2-oxo-ethanimine oxide
IUPAC Name: 2-[(4-amino-4-oxobutyl)amino]-N-methoxy-2-oxoethanimine oxide
SYSTEMATIC NAME: 2-[(4-azanyl-4-oxidanylidene-butyl)amino]-N-methoxy-2-oxidanylidene-ethanimine oxide
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CO/[N+](=C/C(=O)NCCCC(=O)N)/[O-]
Structure:
CAS RN: 102674-12-4
CAS Name: (4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
OPENEYE Name: (4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
IUPAC Name: (4Z,7R,8E,10E,12Z,14S)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
SYSTEMATIC NAME: (4Z,7R,8E,10E,12Z,14S)-7,14-bis(oxidanyl)octadeca-4,8,10,12-tetraenedioic acid
MOLECULAR FORMULA: C18H26O6
MOLECULAR WEIGHT: 338.39544
SMILES: C(C[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\CCC(=O)O)O)O)CC(=O)O
Structure:
CAS RN: 102622-88-8
CAS Name: (9Z,12Z)-8-hydroxyoctadeca-9,12-dienoic acid
OPENEYE Name: (9Z,12Z)-8-hydroxyoctadeca-9,12-dienoic acid
IUPAC Name: (9Z,12Z)-8-hydroxyoctadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-8-oxidanyloctadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC/C=C\C/C=C\C(CCCCCCC(=O)O)O
Structure:
CAS RN: 102583-06-2
CAS Name: 5-[(E)-2-(2,6-dimethylphenyl)ethenyl]-1H-imidazole hydrochloride
OPENEYE Name: 5-[(E)-2-(2,6-dimethylphenyl)vinyl]-1H-imidazole hydrochloride
IUPAC Name: 5-[(E)-2-(2,6-dimethylphenyl)ethenyl]-1H-imidazole hydrochloride
SYSTEMATIC NAME: 5-[(E)-2-(2,6-dimethylphenyl)ethenyl]-1H-imidazole hydrochloride
MOLECULAR FORMULA: C13H15ClN2
MOLECULAR WEIGHT: 234.7246
SMILES: CC1=C(C(=CC=C1)C)/C=C/C2=CN=CN2.Cl
Structure:
CAS RN: 102580-65-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H64O15
MOLECULAR WEIGHT: 808.94856
SMILES: CCC(C)C(=O)OC1CC2CC(CC(=O)OC(CC3C/C(=C\C(=O)OC)/CC(O3)(C(/C=C/C4C/C(=C/C(=O)OC)/CC(O4)CC(C1(C)C)(O2)O)(C)C)O)C(C)O)O
Structure:
CAS RN: 102580-64-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H68O17
MOLECULAR WEIGHT: 881.01122
SMILES: CCCC(=O)OC1CC2CC(CC(=O)OC(CC3C/C(=C\C(=O)OC)/C(C(O3)(C(/C=C/C4C/C(=C/C(=O)OC)/CC(O4)CC(C1(C)C)(O2)O)(C)C)O)OC(=O)CCC)C(C)O)O
Structure:
CAS RN: 102490-01-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: C/C=C\1/CN2[C@H]3CC1C([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)CO
Structure:
CAS RN: 102488-56-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H48N4O4+2
MOLECULAR WEIGHT: 648.83352
SMILES: C/C=C/1\C2C(C3[N+](C1)(C(C2)C4=C(C3)C5=C(N4)C=CC(=C5C6=C(C=CC7=C6C8=C(N7)C9[N+]1(C(C8)C(C(C9)/C(=C\C)/C1)CO)C)O)O)C)CO
Structure:
CAS RN: 102390-02-3
CAS Name: (E)-9-octadecenoic acid (3-anilino-2-hydroxypropyl) ester
OPENEYE Name: (3-anilino-2-hydroxy-propyl) (E)-octadec-9-enoate
IUPAC Name: (3-anilino-2-hydroxypropyl) (E)-octadec-9-enoate
SYSTEMATIC NAME: (2-oxidanyl-3-phenylazanyl-propyl) (E)-octadec-9-enoate
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC1=CC=CC=C1)O
Structure:
CAS RN: 102358-21-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: C/C=C\1/CN2[C@H]3CC1C([C@@H]2CC4=C3NC5=C4C=C(C=C5)O)COC(=O)C
Structure:
CAS RN: 102358-19-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20N2O2
MOLECULAR WEIGHT: 320.385
SMILES: C/C=C\1/COC=C2[C@H]1C[C@H]3C4=C(CCN3C2=O)C5=CC=CC=C5N4
Structure:
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