butyl 2-(2-methylphenyl)-2-oxidanylidene-ethanoate

Systemtic Name: butyl 2-(2-methylphenyl)-2-oxidanylidene-ethanoate Openeye Name: butyl 2-(o-tolyl)-2-oxo-acetate CAS Name: 2-(2-methylphenyl)-2-oxoacetic acid butyl ester IUPAC Name: butyl 2-(2-methylphenyl)-2-oxoacetate Traditional Name: 2-keto-2-(o-tolyl)acetic acid butyl ester Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=O)C1=CC=CC=C1C

Isomeric SMILES

CCCCOC(=O)C(=O)C1=CC=CC=C1C

InChI

InChI=1S/C13H16O3/c1-3-4-9-16-13(15)12(14)11-8-6-5-7-10(11)2/h5-8H,3-4,9H2,1-2H3