CAS RN: 58523-30-1
CAS Name: (1R,2S)-2-benzoyl-8-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
OPENEYE Name: (1R,2S)-2-benzoyl-8-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
IUPAC Name: (1R,2S)-2-benzoyl-8-[(E,1S,2S)-1,2-dihydroxyhex-3-enyl]-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
SYSTEMATIC NAME: (1R,2S)-8-[(E,1S,2S)-1,2-bis(oxidanyl)hex-3-enyl]-2-methoxy-7-methyl-1-oxidanyl-2-(phenylcarbonyl)-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
MOLECULAR FORMULA: C22H25NO8
MOLECULAR WEIGHT: 431.4358
SMILES: CC/C=C/[C@@H]([C@@H](C1=C(C(=O)C2(O1)[C@H]([C@@](NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O
Structure:
CAS RN: 58182-67-5
CAS Name: (E)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-[4-(2-chlorophenyl)phenyl]-2-methyl-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H13ClO3
MOLECULAR WEIGHT: 300.73632
SMILES: C/C(=C\C(=O)C1=CC=C(C=C1)C2=CC=CC=C2Cl)/C(=O)O
Structure:
CAS RN: 57605-80-8
CAS Name: (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
OPENEYE Name: (1S,3R,4Z,8Z,12S,13Z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
IUPAC Name: (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
SYSTEMATIC NAME: (1S,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-yl-cyclotetradeca-4,8,13-triene-1,3-diol
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: C/C/1=C/CC/C(=C\[C@@H](C[C@](/C=C\[C@@H](CC1)C(C)C)(C)O)O)/C
Structure:
CAS RN: 57102-09-7
CAS Name: (1S,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
OPENEYE Name: (1S,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]vinyl]-4-methyl-cyclohex-4-ene-1,3-diol
IUPAC Name: (1S,3R)-5-[(Z)-2-[(1R,3aR,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methylcyclohex-4-ene-1,3-diol
SYSTEMATIC NAME: (1S,3R)-5-[(Z)-2-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-4-methyl-cyclohex-4-ene-1,3-diol
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: CC1=C(C[C@@H](C[C@H]1O)O)/C=C\C2=CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C
Structure:
CAS RN: 56882-00-9
CAS Name: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
OPENEYE Name: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
IUPAC Name: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
SYSTEMATIC NAME: (4E,8E,12E,16E)-4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC(=O)O)/C)/C)C
Structure:
CAS RN: 56509-88-7
CAS Name: (1E,4E,6E,8E,10Z,16E,18E,20E,22E)-2,25-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1,4,6,8,10,16,18,20,22-nonaene-15,27-dione
OPENEYE Name: (1E,4E,6E,8E,10Z,16E,18E,20E,22E)-2,25-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1,4,6,8,10,16,18,20,22-nonaene-15,27-dione
IUPAC Name: (1E,4E,6E,8E,10Z,16E,18E,20E,22E)-2,25-dihydroxy-26-methoxy-4,24-dimethyl-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1,4,6,8,10,16,18,20,22-nonaene-15,27-dione
SYSTEMATIC NAME: (1E,4E,6E,8E,10Z,16E,18E,20E,22E)-26-methoxy-4,24-dimethyl-2,25-bis(oxidanyl)-13-phenyl-3-oxa-14-azabicyclo[22.3.0]heptacosa-1,4,6,8,10,16,18,20,22-nonaene-15,27-dione
MOLECULAR FORMULA: C34H37NO6
MOLECULAR WEIGHT: 555.66068
SMILES: C/C/1=C\C=C\C=C\C=C/CC(NC(=O)/C=C/C=C/C=C/C=C/C\2(C(C(C(=O)/C2=C(/O1)\O)OC)O)C)C3=CC=CC=C3
Structure:
CAS RN: 56396-35-1
CAS Name: (E)-2-cyano-3-(1-phenyl-3-indolyl)-2-propenoic acid
OPENEYE Name: (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
IUPAC Name: (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-2-cyano-3-(1-phenylindol-3-yl)prop-2-enoic acid
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)/C=C(\C#N)/C(=O)O
Structure:
CAS RN: 55912-03-3
CAS Name: (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-hydroxyphenyl)-1-[4-methoxy-3-(3-methylbut-2-enyl)-2-oxidanyl-phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C21H22O4
MOLECULAR WEIGHT: 338.39698
SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)C
Structure:
CAS RN: 55726-49-3
CAS Name: (Z)-N-[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]-9-octadecenamide
OPENEYE Name: (Z)-N-[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]octadec-9-enamide
IUPAC Name: (Z)-N-[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]octadec-9-enamide
SYSTEMATIC NAME: (Z)-N-[1-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]octadec-9-enamide
MOLECULAR FORMULA: C27H45N3O6
MOLECULAR WEIGHT: 507.6627
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2[C@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 126296-30-8
CAS Name: (E)-5-iodo-3,3-dimethyl-4-pentenoic acid (2,3,5,6-tetrafluorophenyl) ester
OPENEYE Name: (2,3,5,6-tetrafluorophenyl) (E)-5-iodo-3,3-dimethyl-pent-4-enoate
IUPAC Name: (2,3,5,6-tetrafluorophenyl) (E)-5-iodo-3,3-dimethylpent-4-enoate
SYSTEMATIC NAME: [2,3,5,6-tetrakis(fluoranyl)phenyl] (E)-5-iodanyl-3,3-dimethyl-pent-4-enoate
MOLECULAR FORMULA: C13H11F4IO2
MOLECULAR WEIGHT: 402.123323
SMILES: CC(C)(CC(=O)OC1=C(C(=CC(=C1F)F)F)F)/C=C/I
Structure:
CAS RN: 126296-29-5
CAS Name: (E)-5-iodo-4-pentenoic acid (2,3,5,6-tetrafluorophenyl) ester
OPENEYE Name: (2,3,5,6-tetrafluorophenyl) (E)-5-iodopent-4-enoate
IUPAC Name: (2,3,5,6-tetrafluorophenyl) (E)-5-iodopent-4-enoate
SYSTEMATIC NAME: [2,3,5,6-tetrakis(fluoranyl)phenyl] (E)-5-iodanylpent-4-enoate
MOLECULAR FORMULA: C11H7F4IO2
MOLECULAR WEIGHT: 374.070163
SMILES: C1=C(C(=C(C(=C1F)F)OC(=O)CC/C=C/I)F)F
Structure:
CAS RN: 143288-68-0
CAS Name: (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoic acid
OPENEYE Name: (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoic acid
IUPAC Name: (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoic acid
SYSTEMATIC NAME: (9Z,12Z)-11-oxidanyloctadeca-9,12-dienoic acid
MOLECULAR FORMULA: C18H32O3
MOLECULAR WEIGHT: 296.44488
SMILES: CCCCC/C=C\C(/C=C\CCCCCCCC(=O)O)O
Structure:
CAS RN: 142861-00-5
CAS Name: 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyl-2-oxiranyl]-6-methylhepta-2,4-dien-2-yl]-5-methyl-2-oxanyl]acetic acid
OPENEYE Name: 2-[(2R,5S,6S)-6-[(1E,3E,5S)-6-[(2R,3R)-3-[(1R,2R,3R)-3-hydroxy-2-methoxy-1-methyl-butyl]-2-methyl-oxiran-2-yl]-1,5-dimethyl-hexa-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]acetic acid
IUPAC Name: 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-4-hydroxy-3-methoxypentan-2-yl]-2-methyloxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-5-methyloxan-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(2R,5S,6S)-6-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3R,4R)-3-methoxy-4-oxidanyl-pentan-2-yl]-2-methyl-oxiran-2-yl]-6-methyl-hepta-2,4-dien-2-yl]-5-methyl-oxan-2-yl]ethanoic acid
MOLECULAR FORMULA: C25H42O6
MOLECULAR WEIGHT: 438.59738
SMILES: C[C@H]1CC[C@@H](O[C@@H]1/C(=C/C=C/[C@@H](C)C[C@@]2([C@H](O2)[C@H](C)[C@H]([C@@H](C)O)OC)C)/C)CC(=O)O
Structure:
CAS RN: 124166-25-2
CAS Name: (3E)-8-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (3E)-8-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methylene]chroman-4-one
IUPAC Name: (3E)-8-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
SYSTEMATIC NAME: (3E)-7-methoxy-3-[(4-methoxyphenyl)methylidene]-8-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=CC=C(C=C1)/C=C/2\COC3=C(C2=O)C=CC(=C3O)OC
Structure:
CAS RN: 113056-55-6
CAS Name: (E)-4-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methyl-2-buten-1-ol
OPENEYE Name: (E)-4-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methyl-but-2-en-1-ol
IUPAC Name: (E)-4-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methylbut-2-en-1-ol
SYSTEMATIC NAME: (E)-4-[(3aR,8bR)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-2-methyl-but-2-en-1-ol
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: C/C(=C\C[C@]12CCN([C@H]1NC3=CC=CC=C23)C)/CO
Structure:
CAS RN: 55062-34-5
CAS Name: (3Z)-3-ethylidene-6-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
OPENEYE Name: (3Z)-3-ethylidene-6-(1H-indol-3-ylmethyl)-1-methyl-piperazine-2,5-dione
IUPAC Name: (3Z)-3-ethylidene-6-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
SYSTEMATIC NAME: (3Z)-3-ethylidene-6-(1H-indol-3-ylmethyl)-1-methyl-piperazine-2,5-dione
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: C/C=C\1/C(=O)N(C(C(=O)N1)CC2=CNC3=CC=CC=C32)C
Structure:
CAS RN: 54991-66-1
CAS Name: 1-butanol; (Z)-2-butenedioic acid; styrene
OPENEYE Name: butan-1-ol; maleic acid; styrene
IUPAC Name: butan-1-ol; (Z)-but-2-enedioic acid; styrene
SYSTEMATIC NAME: butan-1-ol; (Z)-but-2-enedioic acid; ethenylbenzene
MOLECULAR FORMULA: C16H22O5
MOLECULAR WEIGHT: 294.34288
SMILES: CCCCO.C=CC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 54783-68-5
CAS Name: 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
OPENEYE Name: 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
IUPAC Name: 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
SYSTEMATIC NAME: 1,3,3,4-tetramethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,5,6,6-tetramethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
MOLECULAR FORMULA: C42H60
MOLECULAR WEIGHT: 564.9258
SMILES: CC1C(C(=C(CC1)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCC(C2(C)C)C)C)\C)\C)/C)/C)(C)C
Structure:
CAS RN: 102916-85-8
CAS Name: (2S)-2-amino-4-[[(E)-1,2-dichloroethenyl]thio]butanoic acid
OPENEYE Name: (2S)-2-amino-4-[(E)-1,2-dichlorovinyl]sulfanyl-butanoic acid
IUPAC Name: (2S)-2-amino-4-[(E)-1,2-dichloroethenyl]sulfanylbutanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-4-[(E)-1,2-bis(chloranyl)ethenyl]sulfanyl-butanoic acid
MOLECULAR FORMULA: C6H9Cl2NO2S
MOLECULAR WEIGHT: 230.11216
SMILES: C(CS/C(=C\Cl)/Cl)[C@@H](C(=O)O)N
Structure:
CAS RN: 54650-04-3
CAS Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl
OPENEYE Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene; 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl
MOLECULAR FORMULA: C80H108O2
MOLECULAR WEIGHT: 1101.71232
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C.CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(C(=O)CCC2(C)C)C)\C)\C)/C)/C
Structure:
CAS RN: 102791-31-1
CAS Name: (E)-2-heptyl-12-oxo-13-heneicosenoic acid
OPENEYE Name: (E)-2-heptyl-12-oxo-henicos-13-enoic acid
IUPAC Name: (E)-2-heptyl-12-oxohenicos-13-enoic acid
SYSTEMATIC NAME: (E)-2-heptyl-12-oxidanylidene-henicos-13-enoic acid
MOLECULAR FORMULA: C28H52O3
MOLECULAR WEIGHT: 436.71068
SMILES: CCCCCCC/C=C/C(=O)CCCCCCCCCC(CCCCCCC)C(=O)O
Structure:
CAS RN: 102791-30-0
CAS Name: (E)-2-heptyl-10-oxo-11-nonadecenoic acid
OPENEYE Name: (E)-2-heptyl-10-oxo-nonadec-11-enoic acid
IUPAC Name: (E)-2-heptyl-10-oxononadec-11-enoic acid
SYSTEMATIC NAME: (E)-2-heptyl-10-oxidanylidene-nonadec-11-enoic acid
MOLECULAR FORMULA: C26H48O3
MOLECULAR WEIGHT: 408.65752
SMILES: CCCCCCC/C=C/C(=O)CCCCCCCC(CCCCCCC)C(=O)O
Structure:
CAS RN: 53839-71-7
CAS Name: 4-[[(2E,4E,6E,8E)-3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]amino]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
IUPAC Name: ethyl 4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
SYSTEMATIC NAME: ethyl 4-[[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]benzoate
MOLECULAR FORMULA: C29H37NO3
MOLECULAR WEIGHT: 447.60898
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(CCCC2(C)C)C
Structure:
CAS RN: 53657-29-7
CAS Name: (Z)-9-octadecenoic acid [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methyl ester
OPENEYE Name: [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl (Z)-octadec-9-enoate
IUPAC Name: [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-octadec-9-enoate
SYSTEMATIC NAME: [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methyl (Z)-octadec-9-enoate
MOLECULAR FORMULA: C53H92O7
MOLECULAR WEIGHT: 841.29338
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@]5([C@H]([C@@H]4CC=C3C2)CC[C@@H]5[C@H](C)CC[C@H](CC)C(C)C)C)C)O)O)O
Structure:
CAS RN: 53402-48-5
CAS Name: 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylheneicosa-3,7,11,15,19-pentaenyl]aziridine
OPENEYE Name: 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]aziridine
IUPAC Name: 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]aziridine
SYSTEMATIC NAME: 2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]aziridine
MOLECULAR FORMULA: C30H51N
MOLECULAR WEIGHT: 425.73264
SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC1C(N1)(C)C)/C)/C)C
Structure:
CAS RN: 53172-10-4
CAS Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-1-decen-3-one
OPENEYE Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)dec-1-en-3-one
IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)dec-1-en-3-one
SYSTEMATIC NAME: (E)-1-(3-methoxy-4-oxidanyl-phenyl)dec-1-en-3-one
MOLECULAR FORMULA: C17H24O3
MOLECULAR WEIGHT: 276.37066
SMILES: CCCCCCCC(=O)/C=C/C1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 53126-64-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O9
MOLECULAR WEIGHT: 528.59074
SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)C=C4CCO[C@](C4O)(/C=C/C=C/C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@H](C)O
Structure:
CAS RN: 54385-59-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O9
MOLECULAR WEIGHT: 528.59074
SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)C=C4CCO[C@](C4O)(/C=C/C=C/C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@H](C)O
Structure:
CAS RN: 60538-73-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H36O9
MOLECULAR WEIGHT: 528.59074
SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)C=C4CCO[C@](C4O)(/C=C/C=C/C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)[C@H](C)O
Structure:
CAS RN: 107672-06-0
CAS Name: [5-(6-amino-2-methylsulfonyl-7-purinyl)-4-hydroxy-2-(hydroxymethyl)-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]ami
OPENEYE Name: cobaltic [5-(6-amino-2-methylsulfonyl-purin-7-yl)-4-hydroxy-2-(hydroxymethyl)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-corr
IUPAC Name: [5-(6-amino-2-methylsulfonylpurin-7-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-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]pr
SYSTEMATIC NAME: [5-(6-azanyl-2-methylsulfonyl-purin-7-yl)-2-(hydroxymethyl)-4-oxidanyl-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-
MOLECULAR FORMULA: C60H85CoN17O16PS
MOLECULAR WEIGHT: 1422.393161
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)N7C=NC8=C7C(=NC(=N8)S(=O)(=O)C)N)CO.[C-]#N.[Co+3]
Structure:
CAS RN: 107688-04-0
CAS Name: [5-(6-amino-2-methylsulfinyl-7-purinyl)-4-hydroxy-2-(hydroxymethyl)-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]ami
OPENEYE Name: cobaltic [5-(6-amino-2-methylsulfinyl-purin-7-yl)-4-hydroxy-2-(hydroxymethyl)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-corr
IUPAC Name: [5-(6-amino-2-methylsulfinylpurin-7-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-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]pr
SYSTEMATIC NAME: [5-(6-azanyl-2-methylsulfinyl-purin-7-yl)-2-(hydroxymethyl)-4-oxidanyl-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-
MOLECULAR FORMULA: C60H85CoN17O15PS
MOLECULAR WEIGHT: 1406.393761
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)N7C=NC8=C7C(=NC(=N8)S(=O)C)N)CO.[C-]#N.[Co+3]
Structure:
CAS RN: 89270-28-0
CAS Name: (6S,9S,12R,15S,18S,30S)-33-[(E,1R,2R)-1,6-dihydroxy-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,2
OPENEYE Name: (6S,9S,12R,15S,18S,30S)-33-[(E,1R,2R)-1,6-dihydroxy-2-methyl-hex-4-enyl]-30-ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name: (6S,9S,12R,15S,18S,30S)-33-[(E,1R,2R)-1,6-dihydroxy-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,2
SYSTEMATIC NAME: (6S,9S,12R,15S,18S,30S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1,6-bis(oxidanyl)hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,
MOLECULAR FORMULA: C62H111N11O13
MOLECULAR WEIGHT: 1218.61064
SMILES: CC[C@H]1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 83602-41-9
CAS Name: acetic acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotri
OPENEYE Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,26,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex
IUPAC Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-y
SYSTEMATIC NAME: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,26,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclo
MOLECULAR FORMULA: C64H113N11O13
MOLECULAR WEIGHT: 1244.64792
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@@](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OC(=O)C)C)C(C)C)C)CC(C)C)(C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 512-39-0
CAS Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)-1-nona-2,4,6,8-tetraenol
OPENEYE Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraen-1-ol
IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraen-1-ol
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-9-(1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl)nona-2,4,6,8-tetraen-1-ol
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: C/C(=C\CO)/C=C/C=C(\C)/C=C/C12C(CCCC1(O2)C)(C)C
Structure:
CAS RN: 57184-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H63N3O12
MOLECULAR WEIGHT: 837.99462
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2N5CCN(CC5)CC(C)C)O)O)/C
Structure:
CAS RN: 136360-48-0
CAS Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(5S,6R)-5-hydroxy-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(5-oxazolyl)deca-4,6,8-trienamide
OPENEYE Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(5S,6R)-5-hydroxy-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-oxazol-5-yl-deca-4,6,8-trienamide
IUPAC Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(5S,6R)-5-hydroxy-6,8-dimethyl-3,7-dioxo-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
SYSTEMATIC NAME: (4Z,6Z,8E)-N-[(2E,4E,7R,9S)-9-[(5S,6R)-6,8-dimethyl-5-oxidanyl-3,7-bis(oxidanylidene)-2-oxa-8-azaspiro[3.4]octan-5-yl]-9-methoxy-7-methyl-6-oxidanyl-nona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)-3-oxidanyl-deca-4,6,8-trienamide
MOLECULAR FORMULA: C35H49N3O9
MOLECULAR WEIGHT: 655.77826
SMILES: C[C@H]1C(=O)N(C2([C@@]1([C@H](C[C@@H](C)C(/C=C/C=C/CNC(=O)C(C)(C)C(/C(=C\C=C/C=C/CC3=CN=CO3)/C)O)O)OC)O)COC2=O)C
Structure:
CAS RN: 17774-87-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H49N3O12
MOLECULAR WEIGHT: 739.80856
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 15009-49-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H49N3O12
MOLECULAR WEIGHT: 739.80856
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C
Structure:
CAS RN: 38123-26-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H71N3O13
MOLECULAR WEIGHT: 910.10034
SMILES: CCCCN(C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H](/C=C/O[C@@]4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O)N(CCC)CCC
Structure:
CAS RN: 17607-46-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H57N3O13
MOLECULAR WEIGHT: 811.91428
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)OCC(=O)N(C)N(C)C)/C
Structure:
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