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

Systemtic Name: (3-cyclohexylcarbonyl-5-phosphono-1,4-dihydropyrazol-5-yl)phosphonic acid Openeye Name: [3-(cyclohexanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[cyclohexyl(oxo)methyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(cyclohexanecarbonyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(cyclohexanecarbonyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C10H18N2O7P2 MolecularWeight: 340.206642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)C(=O)C2=NNC(C2)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H18N2O7P2/c13-9(7-4-2-1-3-5-7)8-6-10(12-11-8,20(14,15)16)21(17,18)19/h7,12H,1-6H2,(H2,14,15,16)(H2,17,18,19)