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

Systemtic Name: trisodium [5-[1,2-bis(oxidanyl)ethyl]-2-oxidanyl-4-oxidanylidene-furan-3-yl] phosphate Openeye Name: trisodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furyl] phosphate CAS Name: trisodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxo-3-furanyl] phosphate IUPAC Name: trisodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-oxofuran-3-yl] phosphate Traditional Name: trisodium [5-(1,2-dihydroxyethyl)-2-hydroxy-4-keto-3-furyl] phosphate Formula: C18H21Na3O27P3-3 MolecularWeight: 831.233733

Click to see the large picture

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.[Na+].[Na+].[Na+]

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.[Na+].[Na+].[Na+]

InChI

InChI=1S/3C6H9O9P.3Na/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;;;3*+1/p-6