tetrasodium [4-[(4-phosphonatooxyphenyl)-pyridin-2-yl-methyl]phenyl] phosphate

Systemtic Name: tetrasodium [4-[(4-phosphonatooxyphenyl)-pyridin-2-yl-methyl]phenyl] phosphate Openeye Name: tetrasodium [4-[(4-phosphonatooxyphenyl)-(2-pyridyl)methyl]phenyl] phosphate CAS Name: tetrasodium [4-[(4-phosphonatooxyphenyl)-(2-pyridinyl)methyl]phenyl] phosphate IUPAC Name: tetrasodium [4-[(4-phosphonatooxyphenyl)-pyridin-2-ylmethyl]phenyl] phosphate Traditional Name: tetrasodium [4-[(4-phosphatophenyl)-(2-pyridyl)methyl]phenyl] phosphate Formula: C18H13NNa4O8P2 MolecularWeight: 525.204322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=NC(=C1)C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H17NO8P2.4Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;;;/h1-12,18H,(H2,20,21,22)(H2,23,24,25);;;;/q;4*+1/p-4