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

Systemtic Name: (5-phosphono-3-propanoyl-1,4-dihydropyrazol-5-yl)phosphonic acid Openeye Name: (5-phosphono-3-propanoyl-1,4-dihydropyrazol-5-yl)phosphonic acid CAS Name: [3-(1-oxopropyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: (5-phosphono-3-propanoyl-1,4-dihydropyrazol-5-yl)phosphonic acid Traditional Name: (3-phosphono-5-propionyl-2-pyrazolin-3-yl)phosphonic acid Formula: C6H12N2O7P2 MolecularWeight: 286.116202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=NNC(C1)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC(=O)C1=NNC(C1)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H12N2O7P2/c1-2-5(9)4-3-6(8-7-4,16(10,11)12)17(13,14)15/h8H,2-3H2,1H3,(H2,10,11,12)(H2,13,14,15)