tribismuth trisodium 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: tribismuth trisodium 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: tribismuth trisodium tetracitrate CAS Name: tribismuth trisodium 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: tribismuth trisodium 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: tribismuth trisodium tetracitrate Formula: C24H20Bi3Na3O28 MolecularWeight: 1452.30925

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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.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Bi+3].[Bi+3].[Bi+3]

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.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].[Bi+3].[Bi+3].[Bi+3]

InChI

InChI=1S/4C6H8O7.3Bi.3Na/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;/q;;;;3*+3;3*+1/p-12