2-[2,3-bis(oxidanyl)propyl]octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(2,3-dihydroxypropyl)octadecanoate CAS Name: 2-(2,3-dihydroxypropyl)octadecanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(2,3-dihydroxypropyl)octadecanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-glycerylstearate Formula: C27H49O11- MolecularWeight: 549.67136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(CO)O)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(CO)O)C(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H42O4.C6H8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21(24)25)17-20(23)18-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h19-20,22-23H,2-18H2,1H3,(H,24,25);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1