3-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]propanoate

Systemtic Name: 3-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]propanoate Openeye Name: 3-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]propanoate CAS Name: 3-[[2-ethyl-5-(trifluoromethyl)-3-pyrazolyl]methylsulfonyl]propanoate IUPAC Name: 3-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]propanoate Traditional Name: 3-[[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methylsulfonyl]propionate Formula: C10H12F3N2O4S- MolecularWeight: 313.27349

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(F)(F)F)CS(=O)(=O)CCC(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=N1)C(F)(F)F)CS(=O)(=O)CCC(=O)[O-]

InChI

InChI=1S/C10H13F3N2O4S/c1-2-15-7(5-8(14-15)10(11,12)13)6-20(18,19)4-3-9(16)17/h5H,2-4,6H2,1H3,(H,16,17)/p-1