2-oxidanylpropane-1,2,3-tricarboxylate; titanium(4+)

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; titanium(4+) Openeye Name: titanium(4+) tetracitrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; titanium(4+) IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; titanium(4+) Traditional Name: titanium(4+) tetracitrate Formula: C24H20O28Ti3 MolecularWeight: 899.9998

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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.[Ti+4].[Ti+4].[Ti+4]

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.[Ti+4].[Ti+4].[Ti+4]

InChI

InChI=1S/4C6H8O7.3Ti/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*+4/p-12