(phenylmethyl) docosanoate

Systemtic Name: (phenylmethyl) docosanoate Openeye Name: benzyl docosanoate CAS Name: docosanoic acid (phenylmethyl) ester IUPAC Name: benzyl docosanoate Traditional Name: behenic acid benzyl ester Formula: C29H50O2 MolecularWeight: 430.7061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3