(phenylmethyl) 7-methyl-2-oxidanylidene-octanoate

Systemtic Name: (phenylmethyl) 7-methyl-2-oxidanylidene-octanoate Openeye Name: benzyl 7-methyl-2-oxo-octanoate CAS Name: 7-methyl-2-oxooctanoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-methyl-2-oxooctanoate Traditional Name: 2-keto-7-methyl-caprylic acid benzyl ester Formula: C16H22O3 MolecularWeight: 262.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(=O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)CCCCC(=O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22O3/c1-13(2)8-6-7-11-15(17)16(18)19-12-14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11-12H2,1-2H3