3-octadecoxypropane-1,2-diol; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-octadecoxypropane-1,2-diol; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 3-octadecoxypropane-1,2-diol CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-octadecoxypropane-1,2-diol IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 3-octadecoxypropane-1,2-diol Traditional Name: citric acid; 3-stearyloxypropane-1,2-diol Formula: C27H52O10 MolecularWeight: 536.69578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CO)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CO)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H44O3.C6H8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h21-23H,2-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)