CAS RN: 71441-30-0
CAS Name: [4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methanol
OPENEYE Name: [4-[(E)-2-(1,1,4,4-tetramethyltetralin-6-yl)prop-1-enyl]phenyl]methanol
IUPAC Name: [4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methanol
SYSTEMATIC NAME: [4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]phenyl]methanol
MOLECULAR FORMULA: C24H30O
MOLECULAR WEIGHT: 334.4944
SMILES: C/C(=C\C1=CC=C(C=C1)CO)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
Structure:
CAS RN: 57282-57-2
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
MOLECULAR FORMULA: C23H23IN2O
MOLECULAR WEIGHT: 470.34599
SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]
Structure:
CAS RN: 72998-56-2
CAS Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethyl-2-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzoxazole iodide
OPENEYE Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
IUPAC Name: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(E)-3-(1-ethylquinolin-1-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
MOLECULAR FORMULA: C23H23IN2O
MOLECULAR WEIGHT: 470.34599
SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4C=C3)CC.[I-]
Structure:
CAS RN: 71392-06-8
CAS Name: 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-2-(4-hydroxy-3-methoxy-phenyl)-1-(hydroxymethyl)vinyl]-5-methoxy-phenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-[(2S,3S)-3-[4-hydroxy-3-[(Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)prop-1-en-2-yl]-5-methoxyphenyl]-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
SYSTEMATIC NAME: 2-[(2S,3S)-2-(hydroxymethyl)-3-[3-methoxy-5-[(Z)-1-(3-methoxy-4-oxidanyl-phenyl)-3-oxidanyl-prop-1-en-2-yl]-4-oxidanyl-phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C35H30O12
MOLECULAR WEIGHT: 642.6055
SMILES: COC1=C(C=CC(=C1)/C=C(\CO)/C2=CC(=CC(=C2O)OC)[C@H]3[C@@H](OC4=C(O3)C=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)CO)O
Structure:
CAS RN: 72704-01-9
CAS Name: (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
IUPAC Name: methyl (E)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]prop-2-enoate
MOLECULAR FORMULA: C15H18O3
MOLECULAR WEIGHT: 246.30162
SMILES: CC(=CCC1=C(C=CC(=C1)/C=C/C(=O)OC)O)C
Structure:
CAS RN: 72696-49-2
CAS Name: (1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-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-[(1R)-4,4-difluoro-5-hydroxy-1,5-dimethyl-hexyl]-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-[(2R)-5,5-difluoro-6-hydroxy-6-methylheptan-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)-1-[(2R)-5,5-bis(fluoranyl)-6-methyl-6-oxidanyl-heptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
MOLECULAR FORMULA: C27H42F2O3
MOLECULAR WEIGHT: 452.617386
SMILES: C[C@H](CCC(C(C)(C)O)(F)F)[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: 72629-68-6
CAS Name: (1R,2R,3Z,5Z,9Z,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
OPENEYE Name: (1R,2R,3Z,5Z,9Z,13Z)-3-isopropyl-6,10,14-trimethyl-cyclotetradeca-3,5,9,13-tetraene-1,2-diol
IUPAC Name: (1R,2R,3Z,5Z,9Z,13Z)-6,10,14-trimethyl-3-propan-2-ylcyclotetradeca-3,5,9,13-tetraene-1,2-diol
SYSTEMATIC NAME: (1R,2R,3Z,5Z,9Z,13Z)-6,10,14-trimethyl-3-propan-2-yl-cyclotetradeca-3,5,9,13-tetraene-1,2-diol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C/C/1=C/CC/C(=C\C=C(/[C@H]([C@@H](/C(=C\CC1)/C)O)O)\C(C)C)/C
Structure:
CAS RN: 137714-91-1
CAS Name: acetic acid [4-(dimethylamino)-6-[11-hydroxy-5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]-2-oxiranyl]-4,7,12-trioxo-10-naphtho[2,3-h][1]benzopyranyl]-2,4-dimethyl-3-oxanyl] ester
OPENEYE Name: [4-(dimethylamino)-6-[11-hydroxy-5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[2,3-h]chromen-10-yl]-2,4-dimethyl-tetrahydropyran-3-yl] acetate
IUPAC Name: [4-(dimethylamino)-6-[11-hydroxy-5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyloxan-3-yl] acetate
SYSTEMATIC NAME: [4-(dimethylamino)-2,4-dimethyl-6-[5-methyl-2-[2-methyl-3-[(E)-prop-1-enyl]oxiran-2-yl]-11-oxidanyl-4,7,12-tris(oxidanylidene)naphtho[2,3-h]chromen-10-yl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C35H37NO9
MOLECULAR WEIGHT: 615.66958
SMILES: C/C=C/C1C(O1)(C)C2=CC(=O)C3=C(C=C4C(=C3O2)C(=O)C5=C(C4=O)C=CC(=C5O)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)C
Structure:
CAS RN: 137109-33-2
CAS Name: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formyl-2-pentenoic acid
OPENEYE Name: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formyl-pent-2-enoic acid
IUPAC Name: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-formylpent-2-enoic acid
SYSTEMATIC NAME: (Z)-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methanoyl-pent-2-enoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CC/C(=C/C(=O)O)/C=O)CCC=C2C)C
Structure:
CAS RN: 137091-48-6
CAS Name: (E)-eicos-11-en-14-ynoic acid
OPENEYE Name: (E)-icos-11-en-14-ynoic acid
IUPAC Name: (E)-icos-11-en-14-ynoic acid
SYSTEMATIC NAME: (E)-icos-11-en-14-ynoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CCCCCC#CC/C=C/CCCCCCCCCC(=O)O
Structure:
CAS RN: 137089-36-2
CAS Name: (E)-N-[2-(2-cyclohexylethylthio)ethyl]-2-decenamide
OPENEYE Name: (E)-N-[2-(2-cyclohexylethylsulfanyl)ethyl]dec-2-enamide
IUPAC Name: (E)-N-[2-(2-cyclohexylethylsulfanyl)ethyl]dec-2-enamide
SYSTEMATIC NAME: (E)-N-[2-(2-cyclohexylethylsulfanyl)ethyl]dec-2-enamide
MOLECULAR FORMULA: C20H37NOS
MOLECULAR WEIGHT: 339.57888
SMILES: CCCCCCC/C=C/C(=O)NCCSCCC1CCCCC1
Structure:
CAS RN: 136880-81-4
CAS Name: (E)-3-[2-hydroxy-4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2,3-dihydrobenzofuran-2-yl]-5-methoxyphenyl]-2-propenal
OPENEYE Name: (E)-3-[2-hydroxy-4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2,3-dihydrobenzofuran-2-yl]-5-methoxy-phenyl]prop-2-enal
IUPAC Name: (E)-3-[2-hydroxy-4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxyphenyl]prop-2-enal
SYSTEMATIC NAME: (E)-3-[4-[(2R,3R)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]-5-methoxy-2-oxidanyl-phenyl]prop-2-enal
MOLECULAR FORMULA: C20H20O6
MOLECULAR WEIGHT: 356.3692
SMILES: COC1=CC2=C(C=C1)O[C@H]([C@H]2CO)C3=C(C=C(C(=C3)O)/C=C/C=O)OC
Structure:
CAS RN: 136468-08-1
CAS Name: (E)-5-hydroxy-3-methoxy-2-pentenoic acid
OPENEYE Name: (E)-5-hydroxy-3-methoxy-pent-2-enoic acid
IUPAC Name: (E)-5-hydroxy-3-methoxypent-2-enoic acid
SYSTEMATIC NAME: (E)-3-methoxy-5-oxidanyl-pent-2-enoic acid
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: CO/C(=C/C(=O)O)/CCO
Structure:
CAS RN: 136440-42-1
CAS Name: (2E,4E)-2-[3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-5,9-dimethyldeca-4,8-dienal
OPENEYE Name: (2E,4E)-2-[3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-5,9-dimethyl-deca-4,8-dienal
IUPAC Name: (2E,4E)-2-[3-(2-hydroxy-5-oxo-2H-furan-3-yl)propylidene]-5,9-dimethyldeca-4,8-dienal
SYSTEMATIC NAME: (2E,4E)-5,9-dimethyl-2-[3-(2-oxidanyl-5-oxidanylidene-2H-furan-3-yl)propylidene]deca-4,8-dienal
MOLECULAR FORMULA: C19H26O4
MOLECULAR WEIGHT: 318.40734
SMILES: CC(=CCC/C(=C/C/C(=C\CCC1=CC(=O)OC1O)/C=O)/C)C
Structure:
CAS RN: 135863-69-3
CAS Name: (E)-4,5-dioxo-2-hexadecenoic acid
OPENEYE Name: (E)-4,5-dioxohexadec-2-enoic acid
IUPAC Name: (E)-4,5-dioxohexadec-2-enoic acid
SYSTEMATIC NAME: (E)-4,5-bis(oxidanylidene)hexadec-2-enoic acid
MOLECULAR FORMULA: C16H26O4
MOLECULAR WEIGHT: 282.37524
SMILES: CCCCCCCCCCCC(=O)C(=O)/C=C/C(=O)O
Structure:
CAS RN: 135626-22-1
CAS Name: benzoic acid [(2E,5Z)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] ester
OPENEYE Name: [(2E,5Z)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate
IUPAC Name: [(2E,5Z)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] benzoate
SYSTEMATIC NAME: [(2E,5Z)-7-ethoxy-4,7-bis(oxidanylidene)hepta-2,5-dienyl] benzoate
MOLECULAR FORMULA: C16H16O5
MOLECULAR WEIGHT: 288.29524
SMILES: CCOC(=O)/C=C\C(=O)/C=C/COC(=O)C1=CC=CC=C1
Structure:
CAS RN: 135626-21-0
CAS Name: benzoic acid [(E,2S)-2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl] ester
OPENEYE Name: [(E,2S)-2-hydroxy-7-methoxy-4,7-dioxo-hept-5-enyl] benzoate
IUPAC Name: [(E,2S)-2-hydroxy-7-methoxy-4,7-dioxohept-5-enyl] benzoate
SYSTEMATIC NAME: [(E,2S)-7-methoxy-2-oxidanyl-4,7-bis(oxidanylidene)hept-5-enyl] benzoate
MOLECULAR FORMULA: C15H16O6
MOLECULAR WEIGHT: 292.28394
SMILES: COC(=O)/C=C/C(=O)C[C@@H](COC(=O)C1=CC=CC=C1)O
Structure:
CAS RN: 135626-19-6
CAS Name: benzoic acid [(2S,3Z)-2-hydroxy-3-(5-oxo-2-furanylidene)propyl] ester
OPENEYE Name: [(2S,3Z)-2-hydroxy-3-(5-oxo-2-furylidene)propyl] benzoate
IUPAC Name: [(2S,3Z)-2-hydroxy-3-(5-oxofuran-2-ylidene)propyl] benzoate
SYSTEMATIC NAME: [(2S,3Z)-2-oxidanyl-3-(5-oxidanylidenefuran-2-ylidene)propyl] benzoate
MOLECULAR FORMULA: C14H12O5
MOLECULAR WEIGHT: 260.24208
SMILES: C1=CC=C(C=C1)C(=O)OC[C@H](/C=C\2/C=CC(=O)O2)O
Structure:
CAS RN: 135295-02-2
CAS Name: (5Z,8Z,11Z,14Z)-3-hydroxyeicosa-5,8,11,14-tetraenoic acid
OPENEYE Name: (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
IUPAC Name: (5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid
SYSTEMATIC NAME: (5Z,8Z,11Z,14Z)-3-oxidanylicosa-5,8,11,14-tetraenoic acid
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CC(CC(=O)O)O
Structure:
CAS RN: 134954-21-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: C/C=C(\C)/C(=O)O[C@@]1([C@@H](C[C@@H]2[C@@H](C3C14C=C[C@@]3(OO4)C)OC(=O)C2=C)O)C
Structure:
CAS RN: 97143-16-3
CAS Name: (3E,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
OPENEYE Name: (3E,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
IUPAC Name: (3E,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
SYSTEMATIC NAME: (3E,12R)-12-methyl-1-oxacyclododec-3-ene-2,5-dione
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: C[C@@H]1CCCCCCC(=O)/C=C/C(=O)O1
Structure:
CAS RN: 97123-83-6
CAS Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)-3-butenoic acid
OPENEYE Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
IUPAC Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
SYSTEMATIC NAME: (E,2S)-2-azanyl-4-fluoranyl-3-(3-hydroxyphenyl)but-3-enoic acid
MOLECULAR FORMULA: C10H10FNO3
MOLECULAR WEIGHT: 211.189703
SMILES: C1=CC(=CC(=C1)O)/C(=C\F)/[C@@H](C(=O)O)N
Structure:
CAS RN: 99630-95-2
CAS Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)-3-butenoic acid
OPENEYE Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
IUPAC Name: (E,2S)-2-amino-4-fluoro-3-(3-hydroxyphenyl)but-3-enoic acid
SYSTEMATIC NAME: (E,2S)-2-azanyl-4-fluoranyl-3-(3-hydroxyphenyl)but-3-enoic acid
MOLECULAR FORMULA: C10H10FNO3
MOLECULAR WEIGHT: 211.189703
SMILES: C1=CC(=CC(=C1)O)/C(=C\F)/[C@@H](C(=O)O)N
Structure:
CAS RN: 96999-68-7
CAS Name: 3-[(E)-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-4,5,6,7-tetrahydroisobenzofuran-5-ol
OPENEYE Name: 3-[(E)-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-4,5,6,7-tetrahydroisobenzofuran-5-ol
IUPAC Name: 3-[(E)-[1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-4,5,6,7-tetrahydro-2-benzofuran-5-ol
SYSTEMATIC NAME: 3-[(E)-[7a-methyl-1-(6-methyl-6-oxidanyl-heptan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]methyl]-4,5,6,7-tetrahydro-2-benzofuran-5-ol
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: CC(CCCC(C)(C)O)C1CCC\2C1(CCC/C2=C\C3=C4CC(CCC4=CO3)O)C
Structure:
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