[2-(hydroxymethyl)-2-oxidanyl-decanoyl] docosanoate

Systemtic Name: [2-(hydroxymethyl)-2-oxidanyl-decanoyl] docosanoate Openeye Name: [2-hydroxy-2-(hydroxymethyl)decanoyl] docosanoate CAS Name: docosanoic acid [2-hydroxy-2-(hydroxymethyl)-1-oxodecyl] ester IUPAC Name: [2-hydroxy-2-(hydroxymethyl)decanoyl] docosanoate Traditional Name: behenic acid (2-hydroxy-2-methylol-decanoyl) ester Formula: C33H64O5 MolecularWeight: 540.85826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C(CCCCCCCC)(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C(CCCCCCCC)(CO)O

InChI

InChI=1S/C33H64O5/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-31(35)38-32(36)33(37,30-34)29-27-25-10-8-6-4-2/h34,37H,3-30H2,1-2H3