[3-(phenylcarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid

Systemtic Name: [3-(phenylcarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: (3-benzoyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid CAS Name: (3-benzoyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid IUPAC Name: (3-benzoyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid Traditional Name: (5-benzoyl-3-phosphono-2-pyrazolin-3-yl)phosphonic acid Formula: C10H12N2O7P2 MolecularWeight: 334.159002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1C(=NNC1(P(=O)(O)O)P(=O)(O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C10H12N2O7P2/c13-9(7-4-2-1-3-5-7)8-6-10(12-11-8,20(14,15)16)21(17,18)19/h1-5,12H,6H2,(H2,14,15,16)(H2,17,18,19)