2-oxidanylpropane-1,2,3-tricarboxylate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: 2,3,4,5,6-pentahydroxyhexanoate citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: 2,3,4,5,6-pentahydroxyhexanoate citrate Formula: C12H16O14-4 MolecularWeight: 384.24704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C6H12O7/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-2(8)3(9)4(10)5(11)6(12)13/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2-5,7-11H,1H2,(H,12,13)/p-4