5-[2,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxy-benzoic acid CAS Name: 5-[2,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxybenzoic acid IUPAC Name: 5-[2,5-bis(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-2-hydroxybenzoic acid Traditional Name: 5-[2,5-bis(4-chlorophenyl)-2-pyrazolin-3-yl]-2-hydroxy-benzoic acid Formula: C22H16Cl2N2O3 MolecularWeight: 427.28004

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C22H16Cl2N2O3/c23-15-4-1-13(2-5-15)19-12-20(14-3-10-21(27)18(11-14)22(28)29)26(25-19)17-8-6-16(24)7-9-17/h1-11,20,27H,12H2,(H,28,29)