[(1S,5R)-4-[(3E,5E,7E)-3,7-dimethyl-9-(phenylsulfonyl)nona-1,3,5,7-tetraenylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [(1S,5R)-4-[(3E,5E,7E)-3,7-dimethyl-9-(phenylsulfonyl)nona-1,3,5,7-tetraenylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl] ethanoate Openeye Name: [(1S,3R)-4-[(3E,5E,7E)-9-(benzenesulfonyl)-3,7-dimethyl-nona-1,3,5,7-tetraenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] acetate CAS Name: acetic acid [(1S,3R)-4-[(3E,5E,7E)-9-(benzenesulfonyl)-3,7-dimethylnona-1,3,5,7-tetraenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] ester IUPAC Name: [(1S,3R)-4-[(3E,5E,7E)-9-(benzenesulfonyl)-3,7-dimethylnona-1,3,5,7-tetraenylidene]-3-hydroxy-3,5,5-trimethylcyclohexyl] acetate Traditional Name: acetic acid [(1S,3R)-4-[(3E,5E,7E)-9-besyl-3,7-dimethyl-nona-1,3,5,7-tetraenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] ester Formula: C28H36O5S MolecularWeight: 484.64744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCS(=O)(=O)C1=CC=CC=C1)C=CC=C(C)C=C=C2C(CC(CC2(C)O)OC(=O)C)(C)C

Isomeric SMILES

C/C(=C\CS(=O)(=O)C1=CC=CC=C1)/C=C/C=C(\C)/C=C=C2[C@](C[C@H](CC2(C)C)OC(=O)C)(C)O

InChI

InChI=1S/C28H36O5S/c1-21(11-10-12-22(2)17-18-34(31,32)25-13-8-7-9-14-25)15-16-26-27(4,5)19-24(33-23(3)29)20-28(26,6)30/h7-15,17,24,30H,18-20H2,1-6H3/b12-10+,21-11+,22-17+/t16?,24-,28+/m0/s1