CAS RN: 68442-12-6
CAS Name: disodium; dichloro(dimethyl)stannane; (Z)-9-octadecenoic acid 2-mercaptoethyl ester; trichloro(methyl)stannane; sulfide
OPENEYE Name: disodium; dichloro(dimethyl)stannane; 2-sulfanylethyl (Z)-octadec-9-enoate; trichloro(methyl)stannane; sulfide
IUPAC Name: disodium; dichloro(dimethyl)stannane; 2-sulfanylethyl (Z)-octadec-9-enoate; trichloro(methyl)stannane; sulfide
SYSTEMATIC NAME: disodium; bis(chloranyl)-dimethyl-stannane; 2-sulfanylethyl (Z)-octadec-9-enoate; tris(chloranyl)-methyl-stannane; sulfide
MOLECULAR FORMULA: C23H47Cl5Na2O2S2Sn2
MOLECULAR WEIGHT: 880.41262
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCCS.C[Sn](C)(Cl)Cl.C[Sn](Cl)(Cl)Cl.[Na+].[Na+].[S-2]
Structure:
CAS RN: 68401-05-8
CAS Name: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-phenyl]-5,7-dihydroxy-chroman-4-one
IUPAC Name: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C25H28O6
MOLECULAR WEIGHT: 424.48622
SMILES: CC(=CCC/C(=C/CC1=C(C=C(C(=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)O)O)/C)C
Structure:
CAS RN: 68143-83-9
CAS Name: (1S,2S)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-propanol
OPENEYE Name: (1S,2S)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol
IUPAC Name: (1S,2S)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol
SYSTEMATIC NAME: (1S,2S)-1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-1-ol
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: C/C=C/C1=CC(=C(C=C1)O[C@@H](C)[C@H](C2=CC(=C(C=C2)OC)OC)O)OC
Structure:
CAS RN: 68125-02-0
CAS Name: (2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
OPENEYE Name: (2E,4E,6E,8E)-N-isobutyldodeca-2,4,6,8-tetraenamide
IUPAC Name: (2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2E,4E,6E,8E)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C16H25NO
MOLECULAR WEIGHT: 247.3758
SMILES: CCC/C=C/C=C/C=C/C=C/C(=O)NCC(C)C
Structure:
CAS RN: 68034-49-1
CAS Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; (E)-2-phenylethenamine
OPENEYE Name: 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-divinyl-22,23-dihydroporphyrin-2-yl]propanoic acid; (E)-2-phenylethenamine
IUPAC Name: 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; (E)-2-phenylethenamine
SYSTEMATIC NAME: 3-[8,13-bis(ethenyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid; (E)-2-phenylethenamine
MOLECULAR FORMULA: C42H43N5O4
MOLECULAR WEIGHT: 681.82192
SMILES: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C=C)C)C=C.C1=CC=C(C=C1)/C=C/N
Structure:
CAS RN: 67765-58-6
CAS Name: (2Z)-2-[(4S,6R)-4-hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-cyclohex-2-enylidene]acetonitrile
OPENEYE Name: (2Z)-2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-cyclohex-2-en-1-ylidene]acetonitrile
IUPAC Name: (2Z)-2-[(4S,6R)-4-hydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
SYSTEMATIC NAME: (2Z)-2-[(4S,6R)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-cyclohex-2-en-1-ylidene]ethanenitrile
MOLECULAR FORMULA: C14H19NO7
MOLECULAR WEIGHT: 313.30316
SMILES: C1[C@@H](C=C/C(=C/C#N)/[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
Structure:
CAS RN: 67739-70-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H40N4O
MOLECULAR WEIGHT: 568.7504
SMILES: C/C=C\1/CN2CCC34C2CC1/C/5=C/N6C7/C(=C\N(C53)C8=CC=CC=C48)/C\9CC1C7(CCN1C/C9=C/CO)C1=CC=CC=C16
Structure:
CAS RN: 68406-26-8
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(E,2R)-6-methyl-2-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]-2-oxanyl]oxy]oct-5-en
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(10R,12S,14R)-17-[(E,1R)-1,5-dimethyl-1-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-hept-4-enyl]-12-hydroxy-4,4,10,14-tetramethyl-1,2
IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[[(10R,12S,14R)-12-hydroxy-4,4,10,14-tetramethyl-17-[(E,2R)-6-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoct-5-en-2-
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(10R,12S,14R)-4,4,10,14-tetramethyl-17-[(E,2R)-6-methyl-2-[(2S,3R,4R,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-
MOLECULAR FORMULA: C53H90O22
MOLECULAR WEIGHT: 1079.2685
SMILES: CC/C(=C/CC[C@](C)(C1CC[C@]2(C1[C@H](CC3C2CCC4[C@@]3(CCC(C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O)/C
Structure:
CAS RN: 67879-58-7
CAS Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid
OPENEYE Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
IUPAC Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid
MOLECULAR FORMULA: C13H12O9
MOLECULAR WEIGHT: 312.22898
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
Structure:
CAS RN: 72880-50-3
CAS Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxybutanedioic acid
OPENEYE Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxy-butanedioic acid
IUPAC Name: (2R,3R)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-3-oxidanyl-butanedioic acid
MOLECULAR FORMULA: C13H12O9
MOLECULAR WEIGHT: 312.22898
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O[C@H]([C@H](C(=O)O)O)C(=O)O)O)O
Structure:
CAS RN: 33638-02-7
CAS Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
OPENEYE Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
MOLECULAR FORMULA: C22H43ClN2O
MOLECULAR WEIGHT: 387.04262
SMILES: CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO.Cl
Structure:
CAS RN: 67785-79-9
CAS Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
OPENEYE Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
IUPAC Name: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanol hydrochloride
MOLECULAR FORMULA: C22H43ClN2O
MOLECULAR WEIGHT: 387.04262
SMILES: CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCO.Cl
Structure:
CAS RN: 77714-32-0
CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-oxoprop-1-enyl]amino]propanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-oxoprop-1-enyl]amino]propanoate
IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-oxoprop-1-enyl]amino]propanoate
SYSTEMATIC NAME: methyl (2S)-3-(1H-indol-3-yl)-2-[[(E)-3-oxidanylideneprop-1-enyl]amino]propanoate
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N/C=C/C=O
Structure:
CAS RN: 11068-01-2
CAS Name: (2E,4E)-18-hydroxyoctadeca-2,4-dienoic acid methyl ester
OPENEYE Name: methyl (2E,4E)-18-hydroxyoctadeca-2,4-dienoate
IUPAC Name: methyl (2E,4E)-18-hydroxyoctadeca-2,4-dienoate
SYSTEMATIC NAME: methyl (2E,4E)-18-oxidanyloctadeca-2,4-dienoate
MOLECULAR FORMULA: C19H34O3
MOLECULAR WEIGHT: 310.47146
SMILES: COC(=O)/C=C/C=C/CCCCCCCCCCCCCO
Structure:
CAS RN: 7297-53-2
CAS Name: 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
OPENEYE Name: 1-chloro-3-[(E)-2-(4-nitrophenyl)vinyl]benzene
IUPAC Name: 1-chloro-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
SYSTEMATIC NAME: 1-chloranyl-3-[(E)-2-(4-nitrophenyl)ethenyl]benzene
MOLECULAR FORMULA: C14H10ClNO2
MOLECULAR WEIGHT: 259.6877
SMILES: C1=CC(=CC(=C1)Cl)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 33631-48-0
CAS Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-phenyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-phenyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8E)-3,7-dimethyl-N-phenyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-N-phenyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C26H33NO
MOLECULAR WEIGHT: 375.54632
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C/C(=O)NC2=CC=CC=C2)\C)/C
Structure:
CAS RN: 33631-44-6
CAS Name: (2Z,4E,6Z,8Z)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
OPENEYE Name: (2Z,4E,6Z,8Z)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
IUPAC Name: (2Z,4E,6Z,8Z)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
SYSTEMATIC NAME: (2Z,4E,6Z,8Z)-N-butyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
MOLECULAR FORMULA: C24H37NO
MOLECULAR WEIGHT: 355.55668
SMILES: CCCCNC(=O)/C=C(/C)\C=C\C=C(\C)/C=C\C1=C(CCCC1(C)C)C
Structure:
CAS RN: 27730-00-3
CAS Name: (E)-3-(4-bromosylphenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(4-bromosylphenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(4-bromosylphenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-bromosylphenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C15H11BrO2
MOLECULAR WEIGHT: 303.15064
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br=O
Structure:
CAS RN: 215226-72-5
CAS Name: (E)-4,4-dichloro-3-(chloromethyl)-2-butenoic acid
OPENEYE Name: (E)-4,4-dichloro-3-(chloromethyl)but-2-enoic acid
IUPAC Name: (E)-4,4-dichloro-3-(chloromethyl)but-2-enoic acid
SYSTEMATIC NAME: (E)-4,4-bis(chloranyl)-3-(chloromethyl)but-2-enoic acid
MOLECULAR FORMULA: C5H5Cl3O2
MOLECULAR WEIGHT: 203.451
SMILES: C(/C(=C\C(=O)O)/C(Cl)Cl)Cl
Structure:
CAS RN: 159394-73-7
CAS Name: 4-[(Z)-2-(4-nitrophenyl)ethenyl]benzonitrile
OPENEYE Name: 4-[(Z)-2-(4-nitrophenyl)vinyl]benzonitrile
IUPAC Name: 4-[(Z)-2-(4-nitrophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 4-[(Z)-2-(4-nitrophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC(=CC=C1/C=C\C2=CC=C(C=C2)[N+](=O)[O-])C#N
Structure:
CAS RN: 159394-72-6
CAS Name: 3-[(Z)-2-(4-nitrophenyl)ethenyl]benzonitrile
OPENEYE Name: 3-[(Z)-2-(4-nitrophenyl)vinyl]benzonitrile
IUPAC Name: 3-[(Z)-2-(4-nitrophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 3-[(Z)-2-(4-nitrophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC(=CC(=C1)/C=C\C2=CC=C(C=C2)[N+](=O)[O-])C#N
Structure:
CAS RN: 159394-71-5
CAS Name: 3-[(E)-2-(4-nitrophenyl)ethenyl]benzonitrile
OPENEYE Name: 3-[(E)-2-(4-nitrophenyl)vinyl]benzonitrile
IUPAC Name: 3-[(E)-2-(4-nitrophenyl)ethenyl]benzonitrile
SYSTEMATIC NAME: 3-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C#N
Structure:
CAS RN: 154028-32-7
CAS Name: 4-[(E)-2-(3-methoxyphenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(3-methoxyphenyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(3-methoxyphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(3-methoxyphenyl)ethenyl]aniline
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: COC1=CC=CC(=C1)/C=C/C2=CC=C(C=C2)N
Structure:
CAS RN: 153976-41-1
CAS Name: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3-hydroxyphenyl)-1-(m-tolyl)prop-2-en-1-one
IUPAC Name: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC1=CC=CC(=C1)C(=O)/C=C/C2=CC(=CC=C2)O
Structure:
CAS RN: 153976-43-3
CAS Name: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3-hydroxyphenyl)-1-(m-tolyl)prop-2-en-1-one
IUPAC Name: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3-hydroxyphenyl)-1-(3-methylphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC1=CC=CC(=C1)C(=O)/C=C/C2=CC(=CC=C2)O
Structure:
CAS RN: 146517-84-2
CAS Name: (E,7S)-4,9-dioxo-7-[(2E,7E)-1,4,9-trioxodeca-2,7-dienoxy]-2-decenoic acid
OPENEYE Name: (E,7S)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxo-dec-2-enoic acid
IUPAC Name: (E,7S)-7-[(2E,7E)-4,9-dioxodeca-2,7-dienoyl]oxy-4,9-dioxodec-2-enoic acid
SYSTEMATIC NAME: (E,7S)-7-[(2E,7E)-4,9-bis(oxidanylidene)deca-2,7-dienoyl]oxy-4,9-bis(oxidanylidene)dec-2-enoic acid
MOLECULAR FORMULA: C20H24O8
MOLECULAR WEIGHT: 392.39976
SMILES: CC(=O)C[C@H](CCC(=O)/C=C/C(=O)O)OC(=O)/C=C/C(=O)CC/C=C/C(=O)C
Structure:
CAS RN: 145569-98-8
CAS Name: (2E,3E,5E,7E,9E)-2-(2-hydroxyethylidene)-11-[(1S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoic acid methyl ester
OPENEYE Name: methyl (2E,3E,5E,7E,9E)-2-(2-hydroxyethylidene)-11-[(1S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxo-undeca-3,5,7,9-tetraenoate
IUPAC Name: methyl (2E,3E,5E,7E,9E)-2-(2-hydroxyethylidene)-11-[(1S,5R)-2-hydroxy-2-(2-hydroxyethyl)-4-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-11-oxoundeca-3,5,7,9-tetraenoate
SYSTEMATIC NAME: methyl (2E,3E,5E,7E,9E)-11-[(1S,5R)-2-(2-hydroxyethyl)-2-oxidanyl-4-oxidanylidene-6-oxa-3-azabicyclo[3.1.0]hexan-5-yl]-4,6,10-trimethyl-2-(2-oxidanylethylidene)-11-oxidanylidene-undeca-3,5,7,9-tetraenoate
MOLECULAR FORMULA: C23H29NO8
MOLECULAR WEIGHT: 447.47826
SMILES: C/C(=C\C(=C\C(=C/CO)\C(=O)OC)\C)/C=C/C=C(\C)/C(=O)[C@@]12[C@H](O1)C(NC2=O)(CCO)O
Structure:
CAS RN: 142382-11-4
CAS Name: 4-[(E)-5-cyano-3-oxopent-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-5-cyano-3-oxo-pent-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-5-cyano-3-oxopent-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-5-cyano-3-oxidanylidene-pent-1-enyl]benzoic acid
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC(=CC=C1/C=C/C(=O)CCC#N)C(=O)O
Structure:
CAS RN: 139953-98-3
CAS Name: 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]-1-phenylethanol
OPENEYE Name: 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]-1-phenyl-ethanol
IUPAC Name: 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]-1-phenylethanol
SYSTEMATIC NAME: 2-[(1E,3E,5E,7E,9E)-dodeca-1,3,5,7,9-pentaenoxy]-1-phenyl-ethanol
MOLECULAR FORMULA: C20H24O2
MOLECULAR WEIGHT: 296.40336
SMILES: CC/C=C/C=C/C=C/C=C/C=C/OCC(C1=CC=CC=C1)O
Structure:
CAS RN: 139953-97-2
CAS Name: 1-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]-2-propanol
OPENEYE Name: 1-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-ol
IUPAC Name: 1-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-ol
SYSTEMATIC NAME: 1-[(1Z,3Z,5Z,7Z,9Z)-dodeca-1,3,5,7,9-pentaenoxy]propan-2-ol
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC/C=C\C=C/C=C\C=C/C=C\OCC(C)O
Structure:
CAS RN: 139953-95-0
CAS Name: (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
OPENEYE Name: (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
IUPAC Name: (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
SYSTEMATIC NAME: (1Z,3Z,5Z,7Z,9Z)-1-propoxydodeca-1,3,5,7,9-pentaene
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CCCO/C=C\C=C/C=C\C=C/C=C\CC
Structure:
CAS RN: 96829-53-7
CAS Name: (E)-3-methyl-2-hexenoic acid [17-acetyl-8,14,17-trihydroxy-3-[[5-[[5-[[5-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16
OPENEYE Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,
IUPAC Name: [17-acetyl-8,14,17-trihydroxy-3-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12
SYSTEMATIC NAME: [17-ethanoyl-3-[4-methoxy-5-[4-methoxy-5-[4-methoxy-5-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-tris(oxidanyl)-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phe
MOLECULAR FORMULA: C56H90O19
MOLECULAR WEIGHT: 1067.3024
SMILES: CCC/C(=C/C(=O)OC1CC2C3(CCC(CC3=CCC2(C4(C1(C(CC4)(C(=O)C)O)C)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)OC)OC)C)/C
Structure:
CAS RN: 138521-26-3
CAS Name: (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyltetradecanoic acid [(1R,2S,3R,5S,7S)-1,2,5,7-tetrahydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-4,6-dioxabicyclo[3.1.1]heptan-7-yl] ester
OPENEYE Name: [(1R,2S,3R,5S,7S)-1,2,5,7-tetrahydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4,6-dioxabicyclo[3.1.1]heptan-7-yl] (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyl-tetradecanoate
IUPAC Name: [(1R,2S,3R,5S,7S)-1,2,5,7-tetrahydroxy-3-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,6-dioxabicyclo[3.1.1]heptan-7-yl] (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyltetradecanoate
SYSTEMATIC NAME: [(1R,2S,3R,5S,7S)-3-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-1,2,5,7-tetrakis(oxidanyl)-4,6-dioxabicyclo[3.1.1]heptan-7-yl] (12S)-12-[(1Z,3Z)-octa-1,3-dienoxy]-9-propyl-tetradecanoate
MOLECULAR FORMULA: C37H64O15
MOLECULAR WEIGHT: 748.89506
SMILES: CCCC/C=C\C=C/O[C@@H](CC)CCC(CCC)CCCCCCCC(=O)O[C@]1([C@]2([C@H]([C@H](O[C@@]1(O2)O)CO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O
Structure:
CAS RN: 90374-86-0
CAS Name: (1S,4aR,5S,8aR)-5-[(E)-5-(3-carboxy-1-oxopropoxy)-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
OPENEYE Name: (1S,4aR,5S,8aR)-5-[(E)-5-(3-carboxypropanoyloxy)-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid
IUPAC Name: (1S,4aR,5S,8aR)-5-[(E)-5-(3-carboxypropanoyloxy)-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
SYSTEMATIC NAME: (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-(4-oxidanyl-4-oxidanylidene-butanoyl)oxy-pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
MOLECULAR FORMULA: C24H36O6
MOLECULAR WEIGHT: 420.53904
SMILES: C/C(=C\COC(=O)CCC(=O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(C)C(=O)O)C
Structure:
CAS RN: 81840-57-5
CAS Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-1-hepten-3-one
OPENEYE Name: (E)-1-(4-hydroxy-3-methoxy-phenyl)-7-phenyl-hept-1-en-3-one
IUPAC Name: (E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhept-1-en-3-one
SYSTEMATIC NAME: (E)-1-(3-methoxy-4-oxidanyl-phenyl)-7-phenyl-hept-1-en-3-one
MOLECULAR FORMULA: C20H22O3
MOLECULAR WEIGHT: 310.38688
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)CCCCC2=CC=CC=C2)O
Structure:
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