tetraaluminum 2-oxidanylpropane-1,2,3-tricarboxylate trichloride

Systemtic Name: tetraaluminum 2-oxidanylpropane-1,2,3-tricarboxylate trichloride Openeye Name: tetraaluminum trichloride tricitrate CAS Name: tetraaluminum 2-hydroxypropane-1,2,3-tricarboxylate trichloride IUPAC Name: tetraaluminum 2-hydroxypropane-1,2,3-tricarboxylate trichloride Traditional Name: tetraaluminum trichloride tricitrate Formula: C18H15Al4Cl3O21 MolecularWeight: 781.584252

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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.[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-]

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.[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/3C6H8O7.4Al.3ClH/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);;;;;3*1H/q;;;4*+3;;;/p-12