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

Systemtic Name: [(E)-4-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)but-3-en-2-yl] pentanoate Openeye Name: [(E)-1-methyl-3-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)allyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28O3/c1-6-7-8-17(20)21-13(2)9-10-15-14(3)16(19)11-12-18(15,4)5/h9-10,13H,6-8,11-12H2,1-5H3/b10-9+