[3-oxidanyl-2-(12-oxidanyloctadecanoyloxy)propyl] 12-oxidanyloctadecanoate

Systemtic Name: [3-oxidanyl-2-(12-oxidanyloctadecanoyloxy)propyl] 12-oxidanyloctadecanoate Openeye Name: [3-hydroxy-2-(12-hydroxyoctadecanoyloxy)propyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [3-hydroxy-2-(12-hydroxy-1-oxooctadecoxy)propyl] ester IUPAC Name: [3-hydroxy-2-(12-hydroxyoctadecanoyloxy)propyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid [3-hydroxy-2-(12-hydroxyoctadecanoyloxy)propyl] ester Formula: C39H76O7 MolecularWeight: 657.01654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H76O7/c1-3-5-7-21-27-35(41)29-23-17-13-9-11-15-19-25-31-38(43)45-34-37(33-40)46-39(44)32-26-20-16-12-10-14-18-24-30-36(42)28-22-8-6-4-2/h35-37,40-42H,3-34H2,1-2H3