[(2S,3S,4E,6E,8E)-3,7-dimethyl-2,3-bis(oxidanyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienyl] ethanoate

Systemtic Name: [(2S,3S,4E,6E,8E)-3,7-dimethyl-2,3-bis(oxidanyl)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienyl] ethanoate Openeye Name: [(2S,3S,4E,6E,8E)-2,3-dihydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienyl] acetate CAS Name: acetic acid [(2S,3S,4E,6E,8E)-2,3-dihydroxy-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-4,6,8-trienyl] ester IUPAC Name: [(2S,3S,4E,6E,8E)-2,3-dihydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienyl] acetate Traditional Name: acetic acid [(2S,3S,4E,6E,8E)-2,3-dihydroxy-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienyl] ester Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(C)(C(COC(=O)C)O)O)C

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/[C@@](C)([C@H](COC(=O)C)O)O)/C

InChI

InChI=1S/C22H34O4/c1-16(11-12-19-17(2)10-8-13-21(19,4)5)9-7-14-22(6,25)20(24)15-26-18(3)23/h7,9,11-12,14,20,24-25H,8,10,13,15H2,1-6H3/b12-11+,14-7+,16-9+/t20-,22-/m0/s1