methyl 2-[3-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate CAS Name: 2-[[3-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate Traditional Name: 2-[[3-nitro-4-(trifluoromethyl)phenyl]thio]acetic acid methyl ester Formula: C10H8F3NO4S MolecularWeight: 295.23503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C10H8F3NO4S/c1-18-9(15)5-19-6-2-3-7(10(11,12)13)8(4-6)14(16)17/h2-4H,5H2,1H3