[(3E,7E)-7-methyl-9-oxidanyl-1-(2,6,6-trimethyl-5-oxidanylidene-cyclohexen-1-yl)nona-3,7-dien-2-yl] ethanoate

Systemtic Name: [(3E,7E)-7-methyl-9-oxidanyl-1-(2,6,6-trimethyl-5-oxidanylidene-cyclohexen-1-yl)nona-3,7-dien-2-yl] ethanoate Openeye Name: [(2E,6E)-8-hydroxy-6-methyl-1-[(2,6,6-trimethyl-5-oxo-cyclohexen-1-yl)methyl]octa-2,6-dienyl] acetate CAS Name: acetic acid [(3E,7E)-9-hydroxy-7-methyl-1-(2,6,6-trimethyl-5-oxo-1-cyclohexenyl)nona-3,7-dien-2-yl] ester IUPAC Name: [(3E,7E)-9-hydroxy-7-methyl-1-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-3,7-dien-2-yl] acetate Traditional Name: acetic acid [(2E,6E)-8-hydroxy-1-[(5-keto-2,6,6-trimethyl-cyclohexen-1-yl)methyl]-6-methyl-octa-2,6-dienyl] ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)CC1)(C)C)CC(C=CCCC(=CCO)C)OC(=O)C

Isomeric SMILES

CC1=C(C(C(=O)CC1)(C)C)CC(/C=C/CC/C(=C/CO)/C)OC(=O)C

InChI

InChI=1S/C21H32O4/c1-15(12-13-22)8-6-7-9-18(25-17(3)23)14-19-16(2)10-11-20(24)21(19,4)5/h7,9,12,18,22H,6,8,10-11,13-14H2,1-5H3/b9-7+,15-12+