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

Systemtic Name: disodium [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate dihydrate Openeye Name: disodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furyl] phosphate dihydrate CAS Name: disodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furanyl] phosphate dihydrate IUPAC Name: disodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxofuran-3-yl] phosphate dihydrate Traditional Name: disodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-3-furyl] phosphate dihydrate Formula: C6H11Na2O11P MolecularWeight: 336.098241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9O9P.2Na.2H2O/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13;;;;/h2,4,7-8,10H,1H2,(H2,11,12,13);;;2*1H2/q;2*+1;;/p-2