potassium 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-olate

Systemtic Name: potassium 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-pyrazol-3-olate Openeye Name: potassium 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-olate CAS Name: potassium 2,5-dimethyl-4-[[2-methylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-pyrazololate IUPAC Name: potassium 2,5-dimethyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]pyrazol-3-olate Traditional Name: potassium 4-[2-mesyl-4-(trifluoromethyl)benzoyl]-2,5-dimethyl-pyrazol-3-olate Formula: C14H12F3KN2O4S MolecularWeight: 400.41459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)[O-])C.[K+]

Isomeric SMILES

CC1=NN(C(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)[O-])C.[K+]

InChI

InChI=1S/C14H13F3N2O4S.K/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23;/h4-6,21H,1-3H3;/q;+1/p-1