dialuminum 2-(carboxymethyl)-2-oxidanyl-butanedioate

Systemtic Name: dialuminum 2-(carboxymethyl)-2-oxidanyl-butanedioate Openeye Name: dialuminum 2-(carboxymethyl)-2-hydroxy-butanedioate CAS Name: dialuminum 2-(carboxymethyl)-2-hydroxybutanedioate IUPAC Name: dialuminum 2-(carboxymethyl)-2-hydroxybutanedioate Traditional Name: dialuminum 2-(carboxymethyl)-2-hydroxy-succinate Formula: C18H18Al2O21 MolecularWeight: 624.285996

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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]

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]

InChI

InChI=1S/3C6H8O7.2Al/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);;/q;;;2*+3/p-6