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

Systemtic Name: [(E)-2-oxidanylidene-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] ethanoate Openeye Name: [(E)-2-oxo-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [(E)-2-keto-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enyl] ester Formula: C15H22O3 MolecularWeight: 250.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)COC(=O)C

InChI

InChI=1S/C15H22O3/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-18-12(2)16/h7-8H,5-6,9-10H2,1-4H3/b8-7+