[(E)-2-oxidanylidene-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] pentanoate

Systemtic Name: [(E)-2-oxidanylidene-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] pentanoate Openeye Name: [(E)-2-oxo-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] pentanoate CAS Name: pentanoic acid [(E)-2-oxo-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-enyl] ester IUPAC Name: [(E)-2-oxo-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] pentanoate Traditional Name: valeric acid [(E)-2-keto-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] ester Formula: C18H28O3 MolecularWeight: 292.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)C=CC1=C(CCCC1(C)C)C

Isomeric SMILES

CCCCC(=O)OCC(=O)/C=C/C1=C(CCCC1(C)C)C

InChI

InChI=1S/C18H28O3/c1-5-6-9-17(20)21-13-15(19)10-11-16-14(2)8-7-12-18(16,3)4/h10-11H,5-9,12-13H2,1-4H3/b11-10+