2,3-bis(oxidanyl)propyl octadecanoate; 2-oxidanylbutanedioic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl octadecanoate; 2-oxidanylbutanedioic acid Openeye Name: 2,3-dihydroxypropyl octadecanoate; 2-hydroxybutanedioic acid CAS Name: 2-hydroxybutanedioic acid; octadecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl octadecanoate; 2-hydroxybutanedioic acid Traditional Name: malic acid; stearic acid glyceryl ester Formula: C25H48O9 MolecularWeight: 492.64322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C21H42O4.C4H6O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22;5-2(4(8)9)1-3(6)7/h20,22-23H,2-19H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)