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

Systemtic Name: (3-cyclobutylcarbonyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid Openeye Name: [3-(cyclobutanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[cyclobutyl(oxo)methyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(cyclobutanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(cyclobutanecarbonyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C8H14N2O7P2 MolecularWeight: 312.153482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CC(C1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H14N2O7P2/c11-7(5-2-1-3-5)6-4-8(10-9-6,18(12,13)14)19(15,16)17/h5,10H,1-4H2,(H2,12,13,14)(H2,15,16,17)