[(2E,6E)-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] ethanoate

Systemtic Name: [(2E,6E)-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] ethanoate Openeye Name: [(2E,6E)-3,7-dimethyl-9-(p-tolylsulfonyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] acetate CAS Name: acetic acid [(2E,6E)-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl] ester IUPAC Name: [(2E,6E)-3,7-dimethyl-9-(4-methylphenyl)sulfonyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] acetate Traditional Name: acetic acid [(2E,6E)-3,7-dimethyl-9-tosyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl] ester Formula: C29H42O4S MolecularWeight: 486.70638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C(CC(=CCCC(=CCOC(=O)C)C)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)C(C/C(=C/CC/C(=C/COC(=O)C)/C)/C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C29H42O4S/c1-21(17-19-33-25(5)30)10-8-11-23(3)20-27(28-24(4)12-9-18-29(28,6)7)34(31,32)26-15-13-22(2)14-16-26/h11,13-17,27H,8-10,12,18-20H2,1-7H3/b21-17+,23-11+