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

Systemtic Name: [(E)-4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl] butanoate Openeye Name: [(E)-1-methyl-3-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)allyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [(E)-3-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-1-methyl-allyl] ester Formula: C17H26O3 MolecularWeight: 278.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)OC(C)/C=C/C1=C(C(=O)CCC1(C)C)C

InChI

InChI=1S/C17H26O3/c1-6-7-16(19)20-12(2)8-9-14-13(3)15(18)10-11-17(14,4)5/h8-9,12H,6-7,10-11H2,1-5H3/b9-8+