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

Systemtic Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-oxidanyl-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxy-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[5-(4-chlorophenyl)-2-phenyl-1H-pyrazol-5-yl]-1-hydroxy-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3-(4-chlorophenyl)-1-phenyl-3-pyrazolin-3-yl]-1-hydroxy-1-phosphono-ethyl]phosphonic acid Formula: C17H19ClN2O7P2 MolecularWeight: 460.742482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H19ClN2O7P2/c18-14-8-6-13(7-9-14)16(12-17(21,28(22,23)24)29(25,26)27)10-11-20(19-16)15-4-2-1-3-5-15/h1-11,19,21H,12H2,(H2,22,23,24)(H2,25,26,27)