(1-octoxy-3-oxidanyl-propan-2-yl) docosanoate

Systemtic Name: (1-octoxy-3-oxidanyl-propan-2-yl) docosanoate Openeye Name: [1-(hydroxymethyl)-2-octoxy-ethyl] docosanoate CAS Name: docosanoic acid (1-hydroxy-3-octoxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-octoxypropan-2-yl) docosanoate Traditional Name: behenic acid (1-methylol-2-octoxy-ethyl) ester Formula: C33H66O4 MolecularWeight: 526.87474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCCCCCCCC

InChI

InChI=1S/C33H66O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-33(35)37-32(30-34)31-36-29-27-25-10-8-6-4-2/h32,34H,3-31H2,1-2H3