[(2E,6E)-5-acetyloxy-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,6-dienyl] ethanoate

Systemtic Name: [(2E,6E)-5-acetyloxy-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)nona-2,6-dienyl] ethanoate Openeye Name: [(2E,6E)-5-acetoxy-3,7-dimethyl-9-(p-tolylsulfonyl)-9-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)nona-2,6-dienyl] acetate CAS Name: acetic acid [(2E,6E)-5-acetyloxy-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)nona-2,6-dienyl] ester IUPAC Name: [(2E,6E)-5-acetyloxy-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,6-dienyl] acetate Traditional Name: acetic acid [(2E,6E)-5-acetoxy-9-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3,7-dimethyl-9-tosyl-nona-2,6-dienyl] ester Formula: C31H42O7S MolecularWeight: 558.72598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=CC(CC(=CCOC(=O)C)C)OC(=O)C)C)C2=C(C(=O)CCC2(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C/C(=C/C(C/C(=C/COC(=O)C)/C)OC(=O)C)/C)C2=C(C(=O)CCC2(C)C)C

InChI

InChI=1S/C31H42O7S/c1-20-9-11-27(12-10-20)39(35,36)29(30-23(4)28(34)13-15-31(30,7)8)19-22(3)18-26(38-25(6)33)17-21(2)14-16-37-24(5)32/h9-12,14,18,26,29H,13,15-17,19H2,1-8H3/b21-14+,22-18+