tetrasodium [4-[2-oxidanylidene-3-(4-phosphonatooxyphenyl)-1-benzofuran-3-yl]phenyl] phosphate

Systemtic Name: tetrasodium [4-[2-oxidanylidene-3-(4-phosphonatooxyphenyl)-1-benzofuran-3-yl]phenyl] phosphate Openeye Name: tetrasodium [4-[2-oxo-3-(4-phosphonatooxyphenyl)benzofuran-3-yl]phenyl] phosphate CAS Name: tetrasodium [4-[2-oxo-3-(4-phosphonatooxyphenyl)-3-benzofuranyl]phenyl] phosphate IUPAC Name: tetrasodium [4-[2-oxo-3-(4-phosphonatooxyphenyl)-1-benzofuran-3-yl]phenyl] phosphate Traditional Name: tetrasodium [4-[2-keto-3-(4-phosphatophenyl)coumaran-3-yl]phenyl] phosphate Formula: C20H12Na4O10P2 MolecularWeight: 566.209882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(=O)O2)(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(C(=O)O2)(C3=CC=C(C=C3)OP(=O)([O-])[O-])C4=CC=C(C=C4)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H16O10P2.4Na/c21-19-20(17-3-1-2-4-18(17)28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27;;;;/h1-12H,(H2,22,23,24)(H2,25,26,27);;;;/q;4*+1/p-4