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

Systemtic Name: 2-[2,3-bis(oxidanyl)propyl]dodecanoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-(2,3-dihydroxypropyl)dodecanoate CAS Name: 2-(2,3-dihydroxypropyl)dodecanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-(2,3-dihydroxypropyl)dodecanoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 2-glyceryllaurate Formula: C21H37O11- MolecularWeight: 465.51188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H30O4.C6H8O7/c1-2-3-4-5-6-7-8-9-10-13(15(18)19)11-14(17)12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h13-14,16-17H,2-12H2,1H3,(H,18,19);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1