[(E)-5,5-dimethyl-4-oxidanylidene-hex-2-en-2-yl] benzoate

Systemtic Name: [(E)-5,5-dimethyl-4-oxidanylidene-hex-2-en-2-yl] benzoate Openeye Name: [(E)-1,4,4-trimethyl-3-oxo-pent-1-enyl] benzoate CAS Name: benzoic acid [(E)-5,5-dimethyl-4-oxohex-2-en-2-yl] ester IUPAC Name: [(E)-5,5-dimethyl-4-oxohex-2-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-3-keto-1,4,4-trimethyl-pent-1-enyl] ester Formula: C15H18O3 MolecularWeight: 246.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C(C)(C)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

C/C(=C\C(=O)C(C)(C)C)/OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H18O3/c1-11(10-13(16)15(2,3)4)18-14(17)12-8-6-5-7-9-12/h5-10H,1-4H3/b11-10+