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

Systemtic Name: [4-[(4-phosphonooxyphenyl)-pyridin-2-yl-methyl]phenyl] dihydrogen phosphate Openeye Name: [4-[(4-phosphonooxyphenyl)-(2-pyridyl)methyl]phenyl] dihydrogen phosphate CAS Name: [4-[(4-phosphonooxyphenyl)-(2-pyridinyl)methyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[(4-phosphonooxyphenyl)-pyridin-2-ylmethyl]phenyl] dihydrogen phosphate Traditional Name: [4-[(4-phosphonooxyphenyl)-(2-pyridyl)methyl]phenyl] dihydrogen phosphate Formula: C18H17NO8P2 MolecularWeight: 437.277002

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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

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

InChI

InChI=1S/C18H17NO8P2/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)