2-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 2-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 2-[5-keto-3-(trifluoromethyl)-3-pyrazolin-1-yl]besylic acid Formula: C10H7F3N2O4S MolecularWeight: 308.23379

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=O)C=C(N2)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=O)C=C(N2)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C10H7F3N2O4S/c11-10(12,13)8-5-9(16)15(14-8)6-3-1-2-4-7(6)20(17,18)19/h1-5,14H,(H,17,18,19)