sodium [4-[(4-phosphonooxyphenyl)-pyridin-2-yl-methyl]phenyl] dihydrogen phosphate

Systemtic Name: sodium [4-[(4-phosphonooxyphenyl)-pyridin-2-yl-methyl]phenyl] dihydrogen phosphate Openeye Name: sodium [4-[(4-phosphonooxyphenyl)-(2-pyridyl)methyl]phenyl] dihydrogen phosphate CAS Name: sodium [4-[(4-phosphonooxyphenyl)-(2-pyridinyl)methyl]phenyl] dihydrogen phosphate IUPAC Name: sodium [4-[(4-phosphonooxyphenyl)-pyridin-2-ylmethyl]phenyl] dihydrogen phosphate Traditional Name: sodium [4-[(4-phosphonooxyphenyl)-(2-pyridyl)methyl]phenyl] dihydrogen phosphate Formula: C18H17NNaO8P2+ MolecularWeight: 460.266772

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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+]

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+]

InChI

InChI=1S/C18H17NO8P2.Na/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;+1