[(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanylidene-cyclohexen-1-yl)pent-1-en-4-ynyl] ethanoate

Systemtic Name: [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxidanylidene-cyclohexen-1-yl)pent-1-en-4-ynyl] ethanoate Openeye Name: [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxo-cyclohexen-1-yl)pent-1-en-4-ynyl] acetate CAS Name: acetic acid [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxo-1-cyclohexenyl)pent-1-en-4-ynyl] ester IUPAC Name: [(E)-3-methyl-5-(2,6,6-trimethyl-4-oxocyclohexen-1-yl)pent-1-en-4-ynyl] acetate Traditional Name: acetic acid [(E)-5-(4-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-pent-1-en-4-ynyl] ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)C1)(C)C)C#CC(C)C=COC(=O)C

Isomeric SMILES

CC1=C(C(CC(=O)C1)(C)C)C#CC(C)/C=C/OC(=O)C

InChI

InChI=1S/C17H22O3/c1-12(8-9-20-14(3)18)6-7-16-13(2)10-15(19)11-17(16,4)5/h8-9,12H,10-11H2,1-5H3/b9-8+