(1-octadecoxy-3-oxidanyl-propan-2-yl) benzoate

Systemtic Name: (1-octadecoxy-3-oxidanyl-propan-2-yl) benzoate Openeye Name: [1-(hydroxymethyl)-2-octadecoxy-ethyl] benzoate CAS Name: benzoic acid (1-hydroxy-3-octadecoxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-octadecoxypropan-2-yl) benzoate Traditional Name: benzoic acid (1-methylol-2-stearyloxy-ethyl) ester Formula: C28H48O4 MolecularWeight: 448.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CO)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C28H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-25-27(24-29)32-28(30)26-21-18-17-19-22-26/h17-19,21-22,27,29H,2-16,20,23-25H2,1H3