(3-cyclopropylcarbonyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid

Systemtic Name: (3-cyclopropylcarbonyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid Openeye Name: [3-(cyclopropanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[cyclopropyl(oxo)methyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(cyclopropanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(cyclopropanecarbonyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C7H12N2O7P2 MolecularWeight: 298.126902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC1C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H12N2O7P2/c10-6(4-1-2-4)5-3-7(9-8-5,17(11,12)13)18(14,15)16/h4,9H,1-3H2,(H2,11,12,13)(H2,14,15,16)