tetraaluminum 2-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]oxybutanedioate

Systemtic Name: tetraaluminum 2-[1,4-bis(oxidanidyl)-1,4-bis(oxidanylidene)butan-2-yl]oxybutanedioate Openeye Name: tetraaluminum 2-(1-carboxylato-3-oxido-3-oxo-propoxy)butanedioate CAS Name: tetraaluminum 2-(1,4-dioxido-1,4-dioxobutan-2-yl)oxybutanedioate IUPAC Name: tetraaluminum 2-(1,4-dioxido-1,4-dioxobutan-2-yl)oxybutanedioate Traditional Name: tetraaluminum 2-(1-carboxylato-3-keto-3-oxido-propoxy)succinate Formula: C24H18Al4O27 MolecularWeight: 846.309672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C8H10O9.4Al/c3*9-5(10)1-3(7(13)14)17-4(8(15)16)2-6(11)12;;;;/h3*3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16);;;;/q;;;4*+3/p-12