(phenylmethyl) 2-oxidanylidenenonanoate

Systemtic Name: (phenylmethyl) 2-oxidanylidenenonanoate Openeye Name: benzyl 2-oxononanoate CAS Name: 2-oxononanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-oxononanoate Traditional Name: 2-ketopelargonic acid benzyl ester Formula: C16H22O3 MolecularWeight: 262.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22O3/c1-2-3-4-5-9-12-15(17)16(18)19-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3