CAS RN: 23435-80-5
CAS Name: (Z,2E)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]-3-butene-1,3-disulfonic acid
OPENEYE Name: (Z,2E)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylene]but-3-ene-1,3-disulfonic acid
IUPAC Name: (Z,2E)-1,1-diamino-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acid
SYSTEMATIC NAME: (Z,2E)-1,1-bis(azanyl)-4-(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylidene]but-3-ene-1,3-disulfonic acid
MOLECULAR FORMULA: C17H18N2O8S2
MOLECULAR WEIGHT: 442.46342
SMILES: C1=CC=C(C(=C1)/C=C(\C(=C\C2=CC=CC=C2O)\S(=O)(=O)O)/C(N)(N)S(=O)(=O)O)O
Structure:
CAS RN: 23224-49-9
CAS Name: (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
OPENEYE Name: (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
IUPAC Name: (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
SYSTEMATIC NAME: (4Z,8Z)-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CC(=CCC/C(=C\CC/C(=C\CCC(=O)O)/C)/C)C
Structure:
CAS RN: 63903-85-5
CAS Name: 2-[[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)-2-oxanyl]oxy]-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]-11-pyrrolo[2,1-c][1,4]benzodiazepinone hydrochloride
OPENEYE Name: 2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]pyrrolo[2,1-c][1,4]benzodiazepin-11-one hydrochloride
IUPAC Name: 2-[(2S,3R,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-4-hydroxy-3-methyl-8-[(E)-prop-1-enyl]pyrrolo[2,1-c][1,4]benzodiazepin-11-one hydrochloride
SYSTEMATIC NAME: 2-[(2S,3R,4R,5S,6S)-4,6-dimethyl-5-(methylamino)-3,4-bis(oxidanyl)oxan-2-yl]oxy-3-methyl-4-oxidanyl-8-[(E)-prop-1-enyl]pyrrolo[2,1-c][1,4]benzodiazepin-11-one hydrochloride
MOLECULAR FORMULA: C24H30ClN3O6
MOLECULAR WEIGHT: 491.9645
SMILES: C/C=C/C1=CN2C(=C1)C=NC3=C(C(=C(C=C3C2=O)O[C@H]4[C@@H]([C@]([C@H]([C@@H](O4)C)NC)(C)O)O)C)O.Cl
Structure:
CAS RN: 63872-84-4
CAS Name: 2-[[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)-2-oxanyl]oxy]-6-hydroxy-4-methoxy-3-methyl-8-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: 2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)tetrahydropyran-2-yl]oxy-6-hydroxy-4-methoxy-3-methyl-8-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: 2-[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-6-hydroxy-4-methoxy-3-methyl-8-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: 2-[4,6-dimethyl-5-(methylamino)-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-methoxy-3-methyl-6-oxidanyl-8-[(E)-prop-1-enyl]-5,6-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C25H33N3O7
MOLECULAR WEIGHT: 487.54542
SMILES: C/C=C/C1=CN2C(=C1)C(NC3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)C)NC)(C)O)O)C)OC)O
Structure:
CAS RN: 63775-93-9
CAS Name: 6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
OPENEYE Name: 6,9,18,24-tetratert-butyl-3,21,30-triisopropyl-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-34-[(E)-1-methylpent-3-enyl]-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC Name: 6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SYSTEMATIC NAME: 6,9,18,24-tetratert-butyl-34-[(E)-hex-4-en-2-yl]-4,7,10,12,15,19,25,28-octamethyl-33-(methylamino)-3,21,30-tri(propan-2-yl)-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
MOLECULAR FORMULA: C63H113N11O12
MOLECULAR WEIGHT: 1216.63782
SMILES: C/C=C/CC(C)C1C(C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)O1)C(C)C)C)C(C)(C)C)C)C(C)(C)C)C)C)C)C(C)(C)C)C)C(C)C)C(C)(C)C)C)C)C(C)C)NC
Structure:
CAS RN: 64398-08-9
CAS Name: N-(3-fluorophenyl)carbamic acid [(E)-prop-1-enyl] ester
OPENEYE Name: [(E)-prop-1-enyl] N-(3-fluorophenyl)carbamate
IUPAC Name: [(E)-prop-1-enyl] N-(3-fluorophenyl)carbamate
SYSTEMATIC NAME: [(E)-prop-1-enyl] N-(3-fluorophenyl)carbamate
MOLECULAR FORMULA: C10H10FNO2
MOLECULAR WEIGHT: 195.190303
SMILES: C/C=C/OC(=O)NC1=CC(=CC=C1)F
Structure:
CAS RN: 64332-93-0
CAS Name: sulfuric acid [N-acetyl-4-[(E)-2-phenylethenyl]anilino] ester
OPENEYE Name: [N-acetyl-4-[(E)-styryl]anilino] hydrogen sulfate
IUPAC Name: [N-acetyl-4-[(E)-2-phenylethenyl]anilino] hydrogen sulfate
SYSTEMATIC NAME: [ethanoyl-[4-[(E)-2-phenylethenyl]phenyl]amino] hydrogen sulfate
MOLECULAR FORMULA: C16H15NO5S
MOLECULAR WEIGHT: 333.359
SMILES: CC(=O)N(C1=CC=C(C=C1)/C=C/C2=CC=CC=C2)OS(=O)(=O)O
Structure:
CAS RN: 17514-11-3
CAS Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-dimethyl-6-nonenamide
OPENEYE Name: (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2,8-dimethyl-non-6-enamide
IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-dimethylnon-6-enamide
SYSTEMATIC NAME: (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-2,8-dimethyl-non-6-enamide
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CC(C)/C=C/CCCC(C)C(=O)NCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 15541-36-3
CAS Name: (5E,11E,14E)-eicosa-5,11,14-trienoic acid
OPENEYE Name: (5E,11E,14E)-icosa-5,11,14-trienoic acid
IUPAC Name: (5E,11E,14E)-icosa-5,11,14-trienoic acid
SYSTEMATIC NAME: (5E,11E,14E)-icosa-5,11,14-trienoic acid
MOLECULAR FORMULA: C20H34O2
MOLECULAR WEIGHT: 306.48276
SMILES: CCCCC/C=C/C/C=C/CCCC/C=C/CCCC(=O)O
Structure:
CAS RN: 64398-15-8
CAS Name: (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)-2-propenamide
OPENEYE Name: (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
IUPAC Name: (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
SYSTEMATIC NAME: (E)-N,N-bis(2-chloroethyl)-3-(4-chlorophenyl)prop-2-enamide
MOLECULAR FORMULA: C13H14Cl3NO
MOLECULAR WEIGHT: 306.61536
SMILES: C1=CC(=CC=C1/C=C/C(=O)N(CCCl)CCCl)Cl
Structure:
CAS RN: 63826-95-9
CAS Name: (2Z,4Z,6Z,8Z)-9-(2,4-dimethyl-3-thiophenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester
OPENEYE Name: ethyl (2Z,4Z,6Z,8Z)-9-(2,4-dimethyl-3-thienyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
IUPAC Name: ethyl (2Z,4Z,6Z,8Z)-9-(2,4-dimethylthiophen-3-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate
SYSTEMATIC NAME: ethyl (2Z,4Z,6Z,8Z)-9-(2,4-dimethylthiophen-3-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate
MOLECULAR FORMULA: C19H24O2S
MOLECULAR WEIGHT: 316.45766
SMILES: CCOC(=O)/C=C(/C)\C=C/C=C(/C)\C=C/C1=C(SC=C1C)C
Structure:
CAS RN: 7314-08-1
CAS Name: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(p-tolyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N
Structure:
CAS RN: 97136-66-8
CAS Name: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(p-tolyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(4-methylphenyl)ethenyl]aniline
MOLECULAR FORMULA: C15H15N
MOLECULAR WEIGHT: 209.2863
SMILES: CC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N
Structure:
CAS RN: 63124-31-2
CAS Name: (1E,3E)-1-methoxypenta-1,3-diene
OPENEYE Name: (1E,3E)-1-methoxypenta-1,3-diene
IUPAC Name: (1E,3E)-1-methoxypenta-1,3-diene
SYSTEMATIC NAME: (1E,3E)-1-methoxypenta-1,3-diene
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C/C=C/C=C/OC
Structure:
CAS RN: 15416-91-8
CAS Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
OPENEYE Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
IUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
SYSTEMATIC NAME: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
MOLECULAR FORMULA: C15H27O4P
MOLECULAR WEIGHT: 302.346241
SMILES: CC(=CCC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C
Structure:
CAS RN: 15071-61-1
CAS Name: 5-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
OPENEYE Name: 5-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
IUPAC Name: 5-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
SYSTEMATIC NAME: 5-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene-1,3-diol
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: C=CC/C=C/C/C=C/CCCCCCCC1=CC(=CC(=C1)O)O
Structure:
CAS RN: 93535-04-7
CAS Name: 4-[(E)-2-(3-chlorophenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(3-chlorophenyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(3-chlorophenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(3-chlorophenyl)ethenyl]aniline
MOLECULAR FORMULA: C14H12ClN
MOLECULAR WEIGHT: 229.70478
SMILES: C1=CC(=CC(=C1)Cl)/C=C/C2=CC=C(C=C2)N
Structure:
CAS RN: 91587-07-4
CAS Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(4,4-dimethylthiochroman-6-yl)prop-1-enyl]benzoic acid
IUPAC Name: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
MOLECULAR FORMULA: C21H22O2S
MOLECULAR WEIGHT: 338.46318
SMILES: C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)SCCC3(C)C
Structure:
CAS RN: 90811-87-3
CAS Name: (E)-3-(4-phenoxyphenyl)-1-phenyl-2-propen-1-one
OPENEYE Name: (E)-3-(4-phenoxyphenyl)-1-phenyl-prop-2-en-1-one
IUPAC Name: (E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-phenoxyphenyl)-1-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC3=CC=CC=C3
Structure:
CAS RN: 62429-99-6
CAS Name: 2-[(E)-2-(4-chlorophenyl)-1-(dichloromethylsulfonyl)ethenyl]-5-nitrofuran
OPENEYE Name: 2-[(E)-2-(4-chlorophenyl)-1-(dichloromethylsulfonyl)vinyl]-5-nitro-furan
IUPAC Name: 2-[(E)-2-(4-chlorophenyl)-1-(dichloromethylsulfonyl)ethenyl]-5-nitrofuran
SYSTEMATIC NAME: 2-[(E)-1-[bis(chloranyl)methylsulfonyl]-2-(4-chlorophenyl)ethenyl]-5-nitro-furan
MOLECULAR FORMULA: C13H8Cl3NO5S
MOLECULAR WEIGHT: 396.63032
SMILES: C1=CC(=CC=C1/C=C(\C2=CC=C(O2)[N+](=O)[O-])/S(=O)(=O)C(Cl)Cl)Cl
Structure:
CAS RN: 60395-06-4
CAS Name: (3Z,17Z,21Z)-16-[[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-
OPENEYE Name: (3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,1
IUPAC Name: (3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-14,16,20,22,23-pentahydroxy-2-methyl-18,26-dioxo-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-5,6,8,12,14,23-hexahydroxy-26-methyl-2,10-dioxo-1-ox
SYSTEMATIC NAME: (3Z,17Z,21Z)-16-[(2R,3S,4S,5S,6R)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-24-[(6Z,9Z,11Z,24Z)-15-carboxy-2-methyl-14,16,20,22,23-pentakis(oxidanyl)-18,26-bis(oxidanylidene)-1-oxacyclohexacosa-4,6,9,11,24-pentaen-8-yl]-26-methyl-5,6,8,12,14,23-hex
MOLECULAR FORMULA: C60H87NO25
MOLECULAR WEIGHT: 1222.32448
SMILES: C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC/2CC(C(C(CC(=O)CC(CC(C(/C=C\C(=O)OC(CC(C(/C=C\C=C/C=C2)O)C\3/C=C\C=CCC(OC(=O)/C=C\C(C(CC(CC(=O)CC(C(C(C/C=C\C=C3)O)C(=O)O)O)O)O)O)C)C)O)O)O)O)C(=O)O)O)O)N)O
Structure:
CAS RN: 13681-36-2
CAS Name: [(E)-4-[(3-chloroanilino)-oxomethoxy]but-2-enyl]-trimethylammonium chloride
OPENEYE Name: [(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethyl-ammonium chloride
IUPAC Name: [(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethylazanium chloride
SYSTEMATIC NAME: [(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C14H20Cl2N2O2
MOLECULAR WEIGHT: 319.2268
SMILES: C[N+](C)(C)C/C=C/COC(=O)NC1=CC(=CC=C1)Cl.[Cl-]
Structure:
CAS RN: 58800-46-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H22O8
MOLECULAR WEIGHT: 414.40528
SMILES: COC1C2C(C(C1O)O)C(/C/3=C/C4=C(C(=O)C=CC4)C5=COC=C5/C(=C3/C2O)/O)O
Structure:
CAS RN: 58526-37-7
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-5-hydroxy-1,5-dimethyl-hex-3-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-6-methyl-6-oxidanyl-hept-4-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
Structure:
CAS RN: 61630-50-0
CAS Name: 1-methoxy-4-[(1Z,3Z,5Z,7Z)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,3,5-trimethylbenzene
OPENEYE Name: 1-methoxy-4-[(1Z,3Z,5Z,7Z)-9-methoxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,3,5-trimethyl-benzene
IUPAC Name: 1-methoxy-4-[(1Z,3Z,5Z,7Z)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-2,3,5-trimethylbenzene
SYSTEMATIC NAME: 1-methoxy-4-[(1Z,3Z,5Z,7Z)-9-methoxy-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-2,3,5-trimethyl-benzene
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: CC1=CC(=C(C(=C1/C=C\C(=C/C=C\C(=C/COC)\C)\C)C)C)OC
Structure:
CAS RN: 120373-24-2
CAS Name: (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
IUPAC Name: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
SYSTEMATIC NAME: propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-(3-oxidanylidenedecyl)cyclopentyl]hept-5-enoate
MOLECULAR FORMULA: C25H44O5
MOLECULAR WEIGHT: 424.61386
SMILES: CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O)O
Structure:
CAS RN: 60872-63-1
CAS Name: acetic acid [(1R,4E,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ester
OPENEYE Name: [(1R,4E,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
IUPAC Name: [(1R,4E,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
SYSTEMATIC NAME: [(1R,4E,6R,7S,11Z)-4-ethylidene-6,7,14-trimethyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO7
MOLECULAR WEIGHT: 407.45746
SMILES: C/C=C/1\C[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C
Structure:
CAS RN: 60409-51-0
CAS Name: acetic acid [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-7-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]yl] ester
OPENEYE Name: [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxo-spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
IUPAC Name: [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-trioxospiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] acetate
SYSTEMATIC NAME: [(1R,3'R,4R,6R,7R,11Z)-3',6,7,14-tetramethyl-3,8,17-tris(oxidanylidene)spiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-7-yl] ethanoate
MOLECULAR FORMULA: C21H29NO8
MOLECULAR WEIGHT: 423.45686
SMILES: C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C
Structure:
CAS RN: 60195-70-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44O10
MOLECULAR WEIGHT: 648.73926
SMILES: CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 61913-72-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44O10
MOLECULAR WEIGHT: 648.73926
SMILES: CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 66673-22-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H44O10
MOLECULAR WEIGHT: 648.73926
SMILES: CCCCC/C=C/C=C/C12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H]([C@H]([C@@]3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO
Structure:
CAS RN: 59464-43-6
CAS Name: aniline; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
OPENEYE Name: aniline; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
IUPAC Name: aniline; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
SYSTEMATIC NAME: aniline; (1Z,5Z)-cycloocta-1,5-diene; rhodium; chloride
MOLECULAR FORMULA: C14H19ClNRh-
MOLECULAR WEIGHT: 339.66586
SMILES: C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)N.[Cl-].[Rh]
Structure:
CAS RN: 58970-49-3
CAS Name: 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
OPENEYE Name: 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
IUPAC Name: 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]sulfonyl-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene
MOLECULAR FORMULA: C40H58O2S
MOLECULAR WEIGHT: 602.95232
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CS(=O)(=O)C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C
Structure:
CAS RN: 7560-48-7
CAS Name: (E)-3-[4-(dimethylamino)phenyl]-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
IUPAC Name: methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C(=O)OC
Structure:
CAS RN: 6890-91-1
CAS Name: (2Z,4E,6Z,8E)-9-(4-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenal
OPENEYE Name: (2Z,4E,6Z,8E)-9-(4-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenal
IUPAC Name: (2Z,4E,6Z,8E)-9-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
SYSTEMATIC NAME: (2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl)nona-2,4,6,8-tetraenal
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C\C=C\C(=C/C=O)\C)/C
Structure:
CAS RN: 57605-81-9
CAS Name: (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
OPENEYE Name: (1R,3R,4Z,8Z,12S,13Z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
IUPAC Name: (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
SYSTEMATIC NAME: (1R,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: 58190-98-0
CAS Name: (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
OPENEYE Name: (1R,3R,4Z,8Z,12S,13Z)-12-isopropyl-1,5,9-trimethyl-cyclotetradeca-4,8,13-triene-1,3-diol
IUPAC Name: (1R,3R,4Z,8Z,12S,13Z)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
SYSTEMATIC NAME: (1R,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: 56645-60-4
CAS Name: 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoic acid [6-[[(3Z,5E,9E,13E,15E)-12-[[3,4-dihydroxy-6,6-dimethyl-5-(2-methyl-1-oxopropoxy)-2-oxanyl]oxy]-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]metho
OPENEYE Name: [6-[[(3Z,5E,9E,13E,15E)-12-[3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)tetrahydropyran-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyl-tetrah
IUPAC Name: [6-[[(3Z,5E,9E,13E,15E)-12-[3,4-dihydroxy-6,6-dimethyl-5-(2-methylpropanoyloxy)oxan-2-yl]oxy-11-ethyl-8-hydroxy-18-(1-hydroxyethyl)-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dic
SYSTEMATIC NAME: [6-[[(3Z,5E,9E,13E,15E)-12-[6,6-dimethyl-5-(2-methylpropanoyloxy)-3,4-bis(oxidanyl)oxan-2-yl]oxy-11-ethyl-18-(1-hydroxyethyl)-9,13,15-trimethyl-8-oxidanyl-2-oxidanylidene-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-5-methoxy-2-methyl-4-oxidanyl-o
MOLECULAR FORMULA: C52H74Cl2O18
MOLECULAR WEIGHT: 1058.03916
SMILES: CCC1/C=C(/C(C/C=C/C=C(\C(=O)OC(C/C=C(/C=C(/C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)\C)\C)C(C)O)/COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C
Structure:
CAS RN: 56672-21-0
CAS Name: (E)-4-[(dimethylamino)methyl]-1-phenyl-1-nonen-3-one hydrochloride
OPENEYE Name: (E)-4-[(dimethylamino)methyl]-1-phenyl-non-1-en-3-one hydrochloride
IUPAC Name: (E)-4-[(dimethylamino)methyl]-1-phenylnon-1-en-3-one hydrochloride
SYSTEMATIC NAME: (E)-4-[(dimethylamino)methyl]-1-phenyl-non-1-en-3-one hydrochloride
MOLECULAR FORMULA: C18H28ClNO
MOLECULAR WEIGHT: 309.87402
SMILES: CCCCCC(CN(C)C)C(=O)/C=C/C1=CC=CC=C1.Cl
Structure:
CAS RN: 56265-46-4
CAS Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-(4-methoxyphenyl)-2-propenoic acid
OPENEYE Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-(4-methoxyphenyl)prop-2-enoic acid
IUPAC Name: 2-(2-hydroxyethylamino)ethanol; (E)-3-(4-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: 2-(2-hydroxyethylamino)ethanol; (E)-3-(4-methoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C14H21NO5
MOLECULAR WEIGHT: 283.32024
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)O.C(CO)NCCO
Structure:
No comments:
Post a Comment