barium(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; heptahydrate

Systemtic Name: barium(2+); 2-oxidanylpropane-1,2,3-tricarboxylate; heptahydrate Openeye Name: barium(2+) citrate heptahydrate CAS Name: barium(2+); 2-hydroxypropane-1,2,3-tricarboxylate; heptahydrate IUPAC Name: barium(2+); 2-hydroxypropane-1,2,3-tricarboxylate; heptahydrate Traditional Name: barium(2+) citrate heptahydrate Formula: C6H19BaO14- MolecularWeight: 452.53366

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.[Ba+2]

Isomeric SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.[Ba+2]

InChI

InChI=1S/C6H8O7.Ba.7H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;7*1H2/q;+2;;;;;;;/p-3