4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinic acid

Systemtic Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinic acid Openeye Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinic acid CAS Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)-3-pyrazolesulfinic acid IUPAC Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinic acid Traditional Name: 4-carbethoxy-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinic acid Formula: C8H9F3N2O4S MolecularWeight: 286.22827

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C)S(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C)S(=O)O

InChI

InChI=1S/C8H9F3N2O4S/c1-3-17-7(14)4-5(8(9,10)11)12-13(2)6(4)18(15)16/h3H2,1-2H3,(H,15,16)