4-octadecanoylperoxy-3-oxidanyl-4-oxidanylidene-butanoic acid; propane-1,2-diol

Systemtic Name: 4-octadecanoylperoxy-3-oxidanyl-4-oxidanylidene-butanoic acid; propane-1,2-diol Openeye Name: 3-hydroxy-4-octadecanoylperoxy-4-oxo-butanoic acid; propane-1,2-diol CAS Name: 3-hydroxy-4-oxo-4-(1-oxooctadecyldioxy)butanoic acid; propane-1,2-diol IUPAC Name: 3-hydroxy-4-octadecanoylperoxy-4-oxobutanoic acid; propane-1,2-diol Traditional Name: 3-hydroxy-4-keto-4-stearoylperoxy-butyric acid; propane-1,2-diol Formula: C25H48O9 MolecularWeight: 492.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OOC(=O)C(CC(=O)O)O.CC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OOC(=O)C(CC(=O)O)O.CC(CO)O

InChI

InChI=1S/C22H40O7.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)28-29-22(27)19(23)18-20(24)25;1-3(5)2-4/h19,23H,2-18H2,1H3,(H,24,25);3-5H,2H2,1H3