[2-(2,3-dimethylpyrazol-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate

Systemtic Name: [2-(2,3-dimethylpyrazol-1-ium-1-yl)-1-phosphono-ethyl]-oxidanyl-phosphinate Openeye Name: [2-(2,3-dimethylpyrazol-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate CAS Name: [2-(2,3-dimethyl-1-pyrazol-1-iumyl)-1-phosphonoethyl]-hydroxyphosphinate IUPAC Name: [2-(2,3-dimethylpyrazol-1-ium-1-yl)-1-phosphonoethyl]-hydroxyphosphinate Traditional Name: [2-(2,3-dimethylpyrazol-1-ium-1-yl)-1-phosphono-ethyl]-hydroxy-phosphinate Formula: C7H14N2O6P2 MolecularWeight: 284.143382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](N1C)CC(P(=O)(O)O)P(=O)(O)[O-]

Isomeric SMILES

CC1=CC=[N+](N1C)CC(P(=O)(O)O)P(=O)(O)[O-]

InChI

InChI=1S/C7H14N2O6P2/c1-6-3-4-9(8(6)2)5-7(16(10,11)12)17(13,14)15/h3-4,7H,5H2,1-2H3,(H3-,10,11,12,13,14,15)