trisodium [[5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furyl]oxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furanyl]oxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxofuran-3-yl]oxy-oxidophosphoryl] phosphate Traditional Name: trisodium [[5-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-3-furyl]oxy-oxido-phosphoryl] phosphate Formula: C6H7Na3O12P2 MolecularWeight: 402.029412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H10O12P2.3Na/c7-1-2(8)4-3(9)5(6(10)16-4)17-20(14,15)18-19(11,12)13;;;/h2,4,7-8,10H,1H2,(H,14,15)(H2,11,12,13);;;/q;3*+1/p-3