1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid Openeye Name: 1-(1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid CAS Name: 1-(1,1-dioxo-3-thiolanyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Traditional Name: 1-(1,1-diketothiolan-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid Formula: C9H9F3N2O4S MolecularWeight: 298.23897

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N2C(=C(C=N2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CS(=O)(=O)CC1N2C(=C(C=N2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H9F3N2O4S/c10-9(11,12)7-6(8(15)16)3-13-14(7)5-1-2-19(17,18)4-5/h3,5H,1-2,4H2,(H,15,16)