[2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-oxidanyl-ethyl]phosphonic acid

Systemtic Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-oxidanyl-ethyl]phosphonic acid Openeye Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxy-ethyl]phosphonic acid CAS Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxyethyl]phosphonic acid IUPAC Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxyethyl]phosphonic acid Traditional Name: [2-[3-(4-chlorophenyl)-1-phenyl-3-pyrazolin-3-yl]-1-hydroxy-ethyl]phosphonic acid Formula: C17H18ClN2O4P MolecularWeight: 380.762581

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CC(N2)(CC(O)P(=O)(O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=CC(N2)(CC(O)P(=O)(O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN2O4P/c18-14-8-6-13(7-9-14)17(12-16(21)25(22,23)24)10-11-20(19-17)15-4-2-1-3-5-15/h1-11,16,19,21H,12H2,(H2,22,23,24)