2,3-bis(oxidanyl)propyl octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2,3-bis(oxidanyl)propyl octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2,3-dihydroxypropyl octadecanoate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; octadecanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl octadecanoate; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: stearic acid glyceryl ester citrate Formula: C27H47O11-3 MolecularWeight: 547.65548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H42O4.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h20,22-23H,2-19H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3