[2-[3-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-hydroxy-2-[3-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [1-hydroxy-2-[3-(4-hydroxyphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-hydroxy-2-[3-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [1-hydroxy-2-[3-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C13H16NO8P2+ MolecularWeight: 376.215562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)O

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(O)(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H15NO8P2/c15-12-5-3-10(4-6-12)11-2-1-7-14(8-11)9-13(16,23(17,18)19)24(20,21)22/h1-8,16H,9H2,(H4-,15,17,18,19,20,21,22)/p+1