[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 12-oxidanyloctadecanoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 12-oxidanyloctadecanoate Openeye Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid (3-hydroxy-2,2-dimethylol-propyl) ester Formula: C23H46O6 MolecularWeight: 418.60774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)(CO)CO)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(CO)(CO)CO)O

InChI

InChI=1S/C23H46O6/c1-2-3-4-11-14-21(27)15-12-9-7-5-6-8-10-13-16-22(28)29-20-23(17-24,18-25)19-26/h21,24-27H,2-20H2,1H3