octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: octadecanoate; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: octadecanoate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; octadecanoate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; octadecanoate Traditional Name: stearate citrate Formula: C24H40O9-4 MolecularWeight: 472.569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C6H8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-17H2,1H3,(H,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-4