tetraaluminum; 2,3-bis(oxidanyl)butanedioate; ethanedioate

Systemtic Name: tetraaluminum; 2,3-bis(oxidanyl)butanedioate; ethanedioate Openeye Name: tetraaluminum; 2,3-dihydroxybutanedioate; oxalate CAS Name: tetraaluminum; 2,3-dihydroxybutanedioate; oxalate IUPAC Name: tetraaluminum; 2,3-dihydroxybutanedioate; oxalate Traditional Name: tetraaluminum oxalate tritartrate Formula: C18H12Al4O30 MolecularWeight: 816.196032

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3]

Isomeric SMILES

C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(C(C(=O)[O-])O)(C(=O)[O-])O.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Al+3].[Al+3].[Al+3].[Al+3]

InChI

InChI=1S/3C4H6O6.3C2H2O4.4Al/c3*5-1(3(7)8)2(6)4(9)10;3*3-1(4)2(5)6;;;;/h3*1-2,5-6H,(H,7,8)(H,9,10);3*(H,3,4)(H,5,6);;;;/q;;;;;;4*+3/p-12