[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] docosanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] docosanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate CAS Name: docosanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] docosanoate Traditional Name: behenic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C27H54O5 MolecularWeight: 458.71466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO

InChI

InChI=1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3