[(E)-4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl] 3-methylbutanoate

Systemtic Name: [(E)-4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl] 3-methylbutanoate Openeye Name: [(E)-1-methyl-3-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)allyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(E)-4-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)but-3-en-2-yl] ester IUPAC Name: [(E)-4-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)but-3-en-2-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(E)-3-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-1-methyl-allyl] ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(CCC1=O)(C)C)/C=C/C(C)OC(=O)CC(C)C

InChI

InChI=1S/C18H28O3/c1-12(2)11-17(20)21-13(3)7-8-15-14(4)16(19)9-10-18(15,5)6/h7-8,12-13H,9-11H2,1-6H3/b8-7+