oxidanyl-[1-oxidanyl-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate

Systemtic Name: oxidanyl-[1-oxidanyl-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphinate Openeye Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: hydroxy-[1-hydroxy-2-[3-(phenylmethyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphinate IUPAC Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(3-benzylpyridin-1-ium-1-yl)-1-hydroxy-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C14H17NO7P2 MolecularWeight: 373.234802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C14H17NO7P2/c16-14(23(17,18)19,24(20,21)22)11-15-8-4-7-13(10-15)9-12-5-2-1-3-6-12/h1-8,10,16H,9,11H2,(H3-,17,18,19,20,21,22)