[2-[3-(3-methanoylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(3-methanoylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3-formylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3-formylphenyl)-1-pyridin-1-iumyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3-formylphenyl)pyridin-1-ium-1-yl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(3-formylphenyl)pyridin-1-ium-1-yl]-1-phosphono-ethyl]phosphonic acid Formula: C14H16NO7P2+ MolecularWeight: 372.226862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO7P2/c16-10-11-3-1-4-12(7-11)13-5-2-6-15(8-13)9-14(23(17,18)19)24(20,21)22/h1-8,10,14H,9H2,(H3-,17,18,19,20,21,22)/p+1