methyl 2-(4-methoxy-4-oxidanylidene-butyl)benzoate

Systemtic Name: methyl 2-(4-methoxy-4-oxidanylidene-butyl)benzoate Openeye Name: methyl 2-(4-methoxy-4-oxo-butyl)benzoate CAS Name: 2-(4-methoxy-4-oxobutyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-methoxy-4-oxobutyl)benzoate Traditional Name: 2-(4-keto-4-methoxy-butyl)benzoic acid methyl ester Formula: C13H16O4 MolecularWeight: 236.26374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CC=CC=C1C(=O)OC

Isomeric SMILES

COC(=O)CCCC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C13H16O4/c1-16-12(14)9-5-7-10-6-3-4-8-11(10)13(15)17-2/h3-4,6,8H,5,7,9H2,1-2H3