dialuminum [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate

Systemtic Name: dialuminum [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate Openeye Name: dialuminum [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furyl] phosphate CAS Name: dialuminum [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furanyl] phosphate IUPAC Name: dialuminum [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxofuran-3-yl] phosphate Traditional Name: dialuminum [5-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-3-furyl] phosphate Formula: C18H21Al2O27P3 MolecularWeight: 816.227499

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.[Al+3].[Al+3]

Isomeric SMILES

C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.C(C(C1C(=O)C(=C(O1)O)OP(=O)([O-])[O-])O)O.[Al+3].[Al+3]

InChI

InChI=1S/3C6H9O9P.2Al/c3*7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;/h3*2,4,7-8,10H,1H2,(H2,11,12,13);;/q;;;2*+3/p-6