(phenylmethyl) 27-octadecanoyloxyheptacosanoate

Systemtic Name: (phenylmethyl) 27-octadecanoyloxyheptacosanoate Openeye Name: benzyl 27-octadecanoyloxyheptacosanoate CAS Name: 27-(1-oxooctadecoxy)heptacosanoic acid (phenylmethyl) ester IUPAC Name: benzyl 27-octadecanoyloxyheptacosanoate Traditional Name: 27-stearoyloxyheptacosanoic acid benzyl ester Formula: C52H94O4 MolecularWeight: 783.30036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C52H94O4/c1-2-3-4-5-6-7-8-9-20-23-26-29-32-35-41-46-51(53)55-48-43-37-34-31-28-25-22-19-17-15-13-11-10-12-14-16-18-21-24-27-30-33-36-42-47-52(54)56-49-50-44-39-38-40-45-50/h38-40,44-45H,2-37,41-43,46-49H2,1H3