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

Systemtic Name: [3-(3,4-dichlorophenyl)carbonyl-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Openeye Name: [3-(3,4-dichlorobenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid CAS Name: [3-[(3,4-dichlorophenyl)-oxomethyl]-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid IUPAC Name: [3-(3,4-dichlorobenzoyl)-5-phosphono-1,4-dihydropyrazol-5-yl]phosphonic acid Traditional Name: [5-(3,4-dichlorobenzoyl)-3-phosphono-2-pyrazolin-3-yl]phosphonic acid Formula: C10H10Cl2N2O7P2 MolecularWeight: 403.049122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10Cl2N2O7P2/c11-6-2-1-5(3-7(6)12)9(15)8-4-10(14-13-8,22(16,17)18)23(19,20)21/h1-3,14H,4H2,(H2,16,17,18)(H2,19,20,21)