[2-(hydroxymethyl)-2-(12-oxidanyloctadecanoyloxymethyl)butyl] 12-oxidanyloctadecanoate

Systemtic Name: [2-(hydroxymethyl)-2-(12-oxidanyloctadecanoyloxymethyl)butyl] 12-oxidanyloctadecanoate Openeye Name: [2-(hydroxymethyl)-2-(12-hydroxyoctadecanoyloxymethyl)butyl] 12-hydroxyoctadecanoate CAS Name: 12-hydroxyoctadecanoic acid [2-(hydroxymethyl)-2-[(12-hydroxy-1-oxooctadecoxy)methyl]butyl] ester IUPAC Name: [2-(hydroxymethyl)-2-(12-hydroxyoctadecanoyloxymethyl)butyl] 12-hydroxyoctadecanoate Traditional Name: 12-hydroxystearic acid [2-(12-hydroxyoctadecanoyloxymethyl)-2-methylol-butyl] ester Formula: C42H82O7 MolecularWeight: 699.09628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCCCCC(CCCCCC)O)O

InChI

InChI=1S/C42H82O7/c1-4-7-9-23-29-38(44)31-25-19-15-11-13-17-21-27-33-40(46)48-36-42(6-3,35-43)37-49-41(47)34-28-22-18-14-12-16-20-26-32-39(45)30-24-10-8-5-2/h38-39,43-45H,4-37H2,1-3H3