12-(12-oxidanyloctadecanoyloxy)octadecanoic acid

Systemtic Name: 12-(12-oxidanyloctadecanoyloxy)octadecanoic acid Openeye Name: 12-(12-hydroxyoctadecanoyloxy)octadecanoic acid CAS Name: 12-(12-hydroxy-1-oxooctadecoxy)octadecanoic acid IUPAC Name: 12-(12-hydroxyoctadecanoyloxy)octadecanoic acid Traditional Name: 12-(12-hydroxyoctadecanoyloxy)stearic acid Formula: C36H70O5 MolecularWeight: 582.938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O5/c1-3-5-7-21-27-33(37)28-22-17-13-9-12-16-20-26-32-36(40)41-34(29-23-8-6-4-2)30-24-18-14-10-11-15-19-25-31-35(38)39/h33-34,37H,3-32H2,1-2H3,(H,38,39)