[(E)-4,8,12-trimethyl-7-oxidanylidene-1-(2,6,6-trimethylcyclohexen-1-yl)pentadec-1-en-5-yl] ethanoate

Systemtic Name: [(E)-4,8,12-trimethyl-7-oxidanylidene-1-(2,6,6-trimethylcyclohexen-1-yl)pentadec-1-en-5-yl] ethanoate Openeye Name: [4,8-dimethyl-1-[(E)-1-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl]-3-oxo-undecyl] acetate CAS Name: acetic acid [(E)-4,8,12-trimethyl-7-oxo-1-(2,6,6-trimethyl-1-cyclohexenyl)pentadec-1-en-5-yl] ester IUPAC Name: [(E)-4,8,12-trimethyl-7-oxo-1-(2,6,6-trimethylcyclohexen-1-yl)pentadec-1-en-5-yl] acetate Traditional Name: acetic acid [(E)-1-(2-keto-3,7-dimethyl-decyl)-2-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enyl] ester Formula: C29H50O3 MolecularWeight: 446.7055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCC(C)C(=O)CC(C(C)CC=CC1=C(CCCC1(C)C)C)OC(=O)C

Isomeric SMILES

CCCC(C)CCCC(C)C(=O)CC(C(C)C/C=C/C1=C(CCCC1(C)C)C)OC(=O)C

InChI

InChI=1S/C29H50O3/c1-9-13-21(2)14-10-15-23(4)27(31)20-28(32-25(6)30)24(5)16-11-18-26-22(3)17-12-19-29(26,7)8/h11,18,21,23-24,28H,9-10,12-17,19-20H2,1-8H3/b18-11+