CAS RN: 110267-50-0
CAS Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6S)-6-[(E)-2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C22H23FO3
MOLECULAR WEIGHT: 354.414623
SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C
Structure:
CAS RN: 85493-98-7
CAS Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6S)-6-[(E)-2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C22H23FO3
MOLECULAR WEIGHT: 354.414623
SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C
Structure:
CAS RN: 85551-06-0
CAS Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methyl-phenyl)-4,6-dimethyl-phenyl]vinyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6S)-6-[(E)-2-[2-(4-fluoro-3-methylphenyl)-4,6-dimethylphenyl]ethenyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6S)-6-[(E)-2-[2-(4-fluoranyl-3-methyl-phenyl)-4,6-dimethyl-phenyl]ethenyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C22H23FO3
MOLECULAR WEIGHT: 354.414623
SMILES: CC1=CC(=C(C(=C1)C2=CC(=C(C=C2)F)C)/C=C/[C@@H]3C[C@H](CC(=O)O3)O)C
Structure:
CAS RN: 40596-80-3
CAS Name: (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioic acid S-ethyl ester
OPENEYE Name: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienethioate
IUPAC Name: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioate
SYSTEMATIC NAME: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienethioate
MOLECULAR FORMULA: C18H32O2S
MOLECULAR WEIGHT: 312.51048
SMILES: CCSC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
Structure:
CAS RN: 42583-44-8
CAS Name: (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioic acid S-ethyl ester
OPENEYE Name: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienethioate
IUPAC Name: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienethioate
SYSTEMATIC NAME: S-ethyl (2E,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienethioate
MOLECULAR FORMULA: C18H32O2S
MOLECULAR WEIGHT: 312.51048
SMILES: CCSC(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
Structure:
CAS RN: 34375-62-7
CAS Name: (2E,6E)-9-(3,3-dimethyl-2-oxiranyl)-3,7-dimethylnona-2,6-dienoic acid
OPENEYE Name: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoic acid
IUPAC Name: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoic acid
SYSTEMATIC NAME: (2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethyl-nona-2,6-dienoic acid
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: C/C(=C\CC/C(=C/C(=O)O)/C)/CCC1C(O1)(C)C
Structure:
CAS RN: 33532-44-4
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: CC1=C(C(CCC1=O)(C)C)/C=C/C(=C\C=C\C(=C/C=O)\C)/C
Structure:
CAS RN: 32718-68-6
CAS Name: (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoic acid methyl ester
OPENEYE Name: methyl (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoate
IUPAC Name: methyl (9Z,12Z)-18-hydroxyoctadeca-9,12-dienoate
SYSTEMATIC NAME: methyl (9Z,12Z)-18-oxidanyloctadeca-9,12-dienoate
MOLECULAR FORMULA: C19H34O3
MOLECULAR WEIGHT: 310.47146
SMILES: COC(=O)CCCCCCC/C=C\C/C=C\CCCCCO
Structure:
CAS RN: 85394-19-0
CAS Name: (E)-3-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-propenal
OPENEYE Name: (E)-3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)prop-2-enal
IUPAC Name: (E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]prop-2-enal
MOLECULAR FORMULA: C8H8N2O3
MOLECULAR WEIGHT: 180.16072
SMILES: CC1=CN(C(=O)NC1=O)/C=C/C=O
Structure:
CAS RN: 85394-14-5
CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-2-octenoic acid
OPENEYE Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]oct-2-enoic acid
SYSTEMATIC NAME: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]oct-2-enoic acid
MOLECULAR FORMULA: C14H23NO3
MOLECULAR WEIGHT: 253.33732
SMILES: CCCCC/C=C(/C(=O)O)\NC(=O)C1CC1(C)C
Structure:
CAS RN: 85318-25-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H26O4
MOLECULAR WEIGHT: 438.51434
SMILES: COC1=CC/2=C(C=C1)C3C=CC(/C=C\C4=CC(=C(C=C4)O)OC5C=CC(C=C5)/C=C2)C=C3O
Structure:
CAS RN: 85228-87-1
CAS Name: (4E,8E)-10-(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-4,8-dimethyldeca-4,8-dienoic acid
OPENEYE Name: (4E,8E)-10-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-4,8-dimethyl-deca-4,8-dienoic acid
IUPAC Name: (4E,8E)-10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-4,8-dimethyldeca-4,8-dienoic acid
SYSTEMATIC NAME: (4E,8E)-10-[4,5-dimethoxy-2-methyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-4,8-dimethyl-deca-4,8-dienoic acid
MOLECULAR FORMULA: C21H28O6
MOLECULAR WEIGHT: 376.44342
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CC/C=C(\C)/CCC(=O)O
Structure:
CAS RN: 24359-22-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H25NO4S
MOLECULAR WEIGHT: 411.5139
SMILES: C[NH+]1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1.C(=C\C(=O)[O-])\C(=O)O
Structure:
CAS RN: 84930-22-3
CAS Name: (Z)-4-[4-[(Z)-4-ethoxy-1,4-dioxobut-2-enyl]-3-ethyl-1-piperazinyl]-4-oxo-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-4-[4-[(Z)-4-ethoxy-4-oxo-but-2-enoyl]-3-ethyl-piperazin-1-yl]-4-oxo-but-2-enoate
IUPAC Name: ethyl (Z)-4-[4-[(Z)-4-ethoxy-4-oxobut-2-enoyl]-3-ethylpiperazin-1-yl]-4-oxobut-2-enoate
SYSTEMATIC NAME: ethyl (Z)-4-[4-[(Z)-4-ethoxy-4-oxidanylidene-but-2-enoyl]-3-ethyl-piperazin-1-yl]-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C18H26N2O6
MOLECULAR WEIGHT: 366.40884
SMILES: CCC1CN(CCN1C(=O)/C=C\C(=O)OCC)C(=O)/C=C\C(=O)OCC
Structure:
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