CAS RN: 66627-72-3
CAS Name: (E)-1-(2-methoxyphenyl)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)-1-penten-3-one
OPENEYE Name: (E)-1-(2-methoxyphenyl)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one
IUPAC Name: (E)-1-(2-methoxyphenyl)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one
SYSTEMATIC NAME: (E)-1-(2-methoxyphenyl)-4,4-dimethyl-1-(1,2,4-triazol-1-yl)pent-1-en-3-one
MOLECULAR FORMULA: C16H19N3O2
MOLECULAR WEIGHT: 285.34096
SMILES: CC(C)(C)C(=O)/C=C(\C1=CC=CC=C1OC)/N2C=NC=N2
Structure:
CAS RN: 66592-72-1
CAS Name: (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
OPENEYE Name: (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid
IUPAC Name: (2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SYSTEMATIC NAME: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxidanyl-cyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
Structure:
CAS RN: 95632-86-3
CAS Name: hexadecanoic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexa-1,3-dienyl)nona-2,4,6,8-tetraenyl] ester
OPENEYE Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
IUPAC Name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
SYSTEMATIC NAME: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
MOLECULAR FORMULA: C36H58O2
MOLECULAR WEIGHT: 522.84452
SMILES: CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C=CCC1(C)C)C
Structure:
CAS RN: 133186-49-9
CAS Name: (2R,3S,4R,5R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5,6-tetrahydroxyhexanal
OPENEYE Name: (2R,3S,4R,5R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]phenoxy]-3,4,5,6-tetrahydroxy-hexanal
IUPAC Name: (2R,3S,4R,5R)-2-[2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-3,4,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: (2R,3S,4R,5R)-2-[2-[(E)-2-(4-hydroxyphenyl)ethenyl]-4,6-bis(oxidanyl)phenoxy]-3,4,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C20H22O9
MOLECULAR WEIGHT: 406.38328
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2O[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O
Structure:
CAS RN: 133086-86-9
CAS Name: (3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene
OPENEYE Name: (3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene
IUPAC Name: (3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)octa-1,3,7-triene
SYSTEMATIC NAME: (3E,5R,6R,7E)-8-bromanyl-5,6-bis(chloranyl)-2-(chloromethyl)octa-1,3,7-triene
MOLECULAR FORMULA: C9H10BrCl3
MOLECULAR WEIGHT: 304.4387
SMILES: C=C(CCl)/C=C/[C@H]([C@@H](/C=C/Br)Cl)Cl
Structure:
CAS RN: 133083-16-6
CAS Name: (Z)-2-acetamido-3-(3,4-dihydroxyphenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-acetamido-3-(3,4-dihydroxyphenyl)prop-2-enoate
IUPAC Name: ethyl (Z)-2-acetamido-3-(3,4-dihydroxyphenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-acetamido-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
MOLECULAR FORMULA: C13H15NO5
MOLECULAR WEIGHT: 265.2619
SMILES: CCOC(=O)/C(=C/C1=CC(=C(C=C1)O)O)/NC(=O)C
Structure:
CAS RN: 132609-35-9
CAS Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]-2-oxiranyl]-4,7,12-trioxo-5-naphtho[2,3-h][1]benzopyranyl]acetic acid
OPENEYE Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[2,3-h]chromen-5-yl]acetic acid
IUPAC Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-8,11-bis(oxidanyl)-4,7,12-tris(oxidanylidene)naphtho[2,3-h]chromen-5-yl]ethanoic acid
MOLECULAR FORMULA: C25H18O9
MOLECULAR WEIGHT: 462.40502
SMILES: C/C=C\[C@H]1[C@@](O1)(C)C2=CC(=O)C3=C(C=C4C(=C3O2)C(=O)C5=C(C=CC(=C5C4=O)O)O)CC(=O)O
Structure:
CAS RN: 133021-37-1
CAS Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]-2-oxiranyl]-4,7,12-trioxo-5-naphtho[2,3-h][1]benzopyranyl]acetic acid
OPENEYE Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxo-naphtho[2,3-h]chromen-5-yl]acetic acid
IUPAC Name: 2-[8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-4,7,12-trioxonaphtho[2,3-h]chromen-5-yl]acetic acid
SYSTEMATIC NAME: 2-[2-[(2S,3S)-2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]-8,11-bis(oxidanyl)-4,7,12-tris(oxidanylidene)naphtho[2,3-h]chromen-5-yl]ethanoic acid
MOLECULAR FORMULA: C25H18O9
MOLECULAR WEIGHT: 462.40502
SMILES: C/C=C\[C@H]1[C@@](O1)(C)C2=CC(=O)C3=C(C=C4C(=C3O2)C(=O)C5=C(C=CC(=C5C4=O)O)O)CC(=O)O
Structure:
CAS RN: 132523-59-2
CAS Name: 1-[4,5-bis(hydroxymethyl)-3-oxolanyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[4,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]-5-[(E)-2-bromovinyl]pyrimidine-2,4-dione
IUPAC Name: 1-[4,5-bis(hydroxymethyl)oxolan-3-yl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[4,5-bis(hydroxymethyl)oxolan-3-yl]-5-[(E)-2-bromanylethenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H15BrN2O5
MOLECULAR WEIGHT: 347.1619
SMILES: C1C(C(C(O1)CO)CO)N2C=C(C(=O)NC2=O)/C=C/Br
Structure:
CAS RN: 132340-44-4
CAS Name: (E)-4,5-dihydroxy-2-hexenoic acid [7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)-2-oxiranyl]-2-oxaspiro[2.5]octan-6-yl] ester
OPENEYE Name: [7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-4,5-dihydroxyhex-2-enoate
IUPAC Name: [7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-4,5-dihydroxyhex-2-enoate
SYSTEMATIC NAME: [7-methoxy-8-[2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-2-oxaspiro[2.5]octan-6-yl] (E)-4,5-bis(oxidanyl)hex-2-enoate
MOLECULAR FORMULA: C22H34O7
MOLECULAR WEIGHT: 410.50116
SMILES: CC(C(/C=C/C(=O)OC1CCC2(CO2)C(C1OC)C3(C(O3)CC=C(C)C)C)O)O
Structure:
CAS RN: 132075-01-5
CAS Name: (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
OPENEYE Name: (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
IUPAC Name: (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
SYSTEMATIC NAME: (8Z)-heptadeca-1,8-dien-4,6-diyne-3,10-diol
MOLECULAR FORMULA: C17H24O2
MOLECULAR WEIGHT: 260.37126
SMILES: CCCCCCCC(/C=C\C#CC#CC(C=C)O)O
Structure:
CAS RN: 131651-40-6
CAS Name: 3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 3,6-dichloro-4-[(E)-4-chloro-3-methyl-but-3-en-1-ynyl]-5-hydroxy-1,2-benzoquinone
IUPAC Name: 3,6-dichloro-4-[(E)-4-chloro-3-methylbut-3-en-1-ynyl]-5-hydroxycyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 3,6-bis(chloranyl)-4-[(E)-4-chloranyl-3-methyl-but-3-en-1-ynyl]-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C11H5Cl3O3
MOLECULAR WEIGHT: 291.5146
SMILES: C/C(=C\Cl)/C#CC1=C(C(=O)C(=O)C(=C1O)Cl)Cl
Structure:
CAS RN: 131610-90-7
CAS Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
OPENEYE Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione
IUPAC Name: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
SYSTEMATIC NAME: 5-(2-hydroxyethylamino)-3-(hydroxymethyl)-1-methyl-2-[(E)-3-oxidanylprop-1-enyl]indole-4,7-dione
MOLECULAR FORMULA: C15H18N2O5
MOLECULAR WEIGHT: 306.31382
SMILES: CN1C(=C(C2=C1C(=O)C=C(C2=O)NCCO)CO)/C=C/CO
Structure:
CAS RN: 131545-89-6
CAS Name: (7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodoethenyl]-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodovinyl]-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(E)-2-iodoethenyl]-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8R,9S,10R,13S,14S,17R)-17-[(E)-2-iodanylethenyl]-7,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H29IO2
MOLECULAR WEIGHT: 440.35823
SMILES: C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(/C=C/I)O
Structure:
CAS RN: 131426-25-0
CAS Name: (9E,12Z,14Z,16S)-16-hydroxyheneicosa-9,12,14-trienoic acid
OPENEYE Name: (9E,12Z,14Z,16S)-16-hydroxyhenicosa-9,12,14-trienoic acid
IUPAC Name: (9E,12Z,14Z,16S)-16-hydroxyhenicosa-9,12,14-trienoic acid
SYSTEMATIC NAME: (9E,12Z,14Z,16S)-16-oxidanylhenicosa-9,12,14-trienoic acid
MOLECULAR FORMULA: C21H36O3
MOLECULAR WEIGHT: 336.50874
SMILES: CCCCC[C@@H](/C=C\C=C/C/C=C/CCCCCCCC(=O)O)O
Structure:
CAS RN: 131420-91-2
CAS Name: (Z)-3-(4-acetyloxy-5-ethyl-3-methoxy-1-naphthalenyl)-2-methyl-2-propenoic acid
OPENEYE Name: (Z)-3-(4-acetoxy-5-ethyl-3-methoxy-1-naphthyl)-2-methyl-prop-2-enoic acid
IUPAC Name: (Z)-3-(4-acetyloxy-5-ethyl-3-methoxynaphthalen-1-yl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(4-acetyloxy-5-ethyl-3-methoxy-naphthalen-1-yl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C19H20O5
MOLECULAR WEIGHT: 328.3591
SMILES: CCC1=CC=CC2=C1C(=C(C=C2/C=C(/C)\C(=O)O)OC)OC(=O)C
Structure:
CAS RN: 131420-84-3
CAS Name: (Z)-3-(5-ethyl-4-hydroxy-3-methoxy-1-naphthalenyl)-2-methyl-2-propenoic acid
OPENEYE Name: (Z)-3-(5-ethyl-4-hydroxy-3-methoxy-1-naphthyl)-2-methyl-prop-2-enoic acid
IUPAC Name: (Z)-3-(5-ethyl-4-hydroxy-3-methoxynaphthalen-1-yl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (Z)-3-(5-ethyl-3-methoxy-4-oxidanyl-naphthalen-1-yl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C17H18O4
MOLECULAR WEIGHT: 286.32242
SMILES: CCC1=CC=CC2=C1C(=C(C=C2/C=C(/C)\C(=O)O)OC)O
Structure:
CAS RN: 130746-82-6
CAS Name: (3R,5S,6E)-3,5-dihydroxy-9,9-diphenylnona-6,8-dienoic acid methyl ester
OPENEYE Name: methyl (3R,5S,6E)-3,5-dihydroxy-9,9-diphenyl-nona-6,8-dienoate
IUPAC Name: methyl (3R,5S,6E)-3,5-dihydroxy-9,9-diphenylnona-6,8-dienoate
SYSTEMATIC NAME: methyl (3R,5S,6E)-3,5-bis(oxidanyl)-9,9-diphenyl-nona-6,8-dienoate
MOLECULAR FORMULA: C22H24O4
MOLECULAR WEIGHT: 352.42356
SMILES: COC(=O)C[C@@H](C[C@@H](/C=C/C=C(C1=CC=CC=C1)C2=CC=CC=C2)O)O
Structure:
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