4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinate

Systemtic Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinate Openeye Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinate CAS Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)-3-pyrazolesulfinate IUPAC Name: 4-ethoxycarbonyl-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinate Traditional Name: 4-carbethoxy-2-methyl-5-(trifluoromethyl)pyrazole-3-sulfinate Formula: C8H8F3N2O4S- MolecularWeight: 285.22033

Click to see the large picture

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)/p-1