[2-[3-(3,5-dimethylphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3-(3,5-dimethylphenyl)pyridin-1-ium-1-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3-(3,5-dimethylphenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3-(3,5-dimethylphenyl)-1-pyridin-1-iumyl]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3-(3,5-dimethylphenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(3,5-dimethylphenyl)pyridin-1-ium-1-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C15H20NO7P2+ MolecularWeight: 388.269322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C[N+](=CC=C2)CC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C15H19NO7P2/c1-11-6-12(2)8-14(7-11)13-4-3-5-16(9-13)10-15(17,24(18,19)20)25(21,22)23/h3-9,17H,10H2,1-2H3,(H3-,18,19,20,21,22,23)/p+1