sodium 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate

Systemtic Name: sodium 2-oxidanylpropane-1,2,3-tricarboxylate dihydrate Openeye Name: sodium tricitrate dihydrate CAS Name: sodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate IUPAC Name: sodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate Traditional Name: sodium tricitrate dihydrate Formula: C18H19NaO23-8 MolecularWeight: 626.31943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H8O7.Na.2H2O/c3*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h3*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;2*1H2/q;;;+1;;/p-9