[2-(hydroxymethyl)-2-methyl-3-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-octadecanoyloxy-propyl] octadecanoate Openeye Name: [2-(hydroxymethyl)-2-methyl-3-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [2-(hydroxymethyl)-2-methyl-3-(1-oxooctadecoxy)propyl] ester IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid (2-methyl-2-methylol-3-stearoyloxy-propyl) ester Formula: C41H80O5 MolecularWeight: 653.0709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)COC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)COC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H80O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(43)45-37-41(3,36-42)38-46-40(44)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h42H,4-38H2,1-3H3