hexane-1,1-diol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: hexane-1,1-diol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: hexane-1,1-diol citrate CAS Name: hexane-1,1-diol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: hexane-1,1-diol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: hexane-1,1-diol citrate Formula: C12H19O9-3 MolecularWeight: 307.27386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H14O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-3-4-5-6(7)8/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);6-8H,2-5H2,1H3/p-3