methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyloxy]benzoate

Systemtic Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoyloxy]benzoate Openeye Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]oxybenzoate CAS Name: 4-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]oxybenzoate Traditional Name: 4-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]oxybenzoic acid methyl ester Formula: C17H12F3NO6S MolecularWeight: 415.34049

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3NO6S/c1-26-16(23)10-2-5-12(6-3-10)27-15(22)9-28-14-7-4-11(17(18,19)20)8-13(14)21(24)25/h2-8H,9H2,1H3