5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-azanyl-1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carboxylic acid Openeye Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carboxylic acid CAS Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carboxylic acid Traditional Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-triflyl-pyrazole-3-carboxylic acid Formula: C12H5Cl2F6N3O4S MolecularWeight: 472.147219

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)O)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C(=O)O)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F

InChI

InChI=1S/C12H5Cl2F6N3O4S/c13-4-1-3(11(15,16)17)2-5(14)7(4)23-9(21)8(6(22-23)10(24)25)28(26,27)12(18,19)20/h1-2H,21H2,(H,24,25)