methyl 2-[3,5-bis(trifluoromethyl)phenyl]carbonylsulfanylbenzoate

Systemtic Name: methyl 2-[3,5-bis(trifluoromethyl)phenyl]carbonylsulfanylbenzoate Openeye Name: methyl 2-[3,5-bis(trifluoromethyl)benzoyl]sulfanylbenzoate CAS Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[3,5-bis(trifluoromethyl)benzoyl]sulfanylbenzoate Traditional Name: 2-[[3,5-bis(trifluoromethyl)benzoyl]thio]benzoic acid methyl ester Formula: C17H10F6O3S MolecularWeight: 408.314919

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H10F6O3S/c1-26-14(24)12-4-2-3-5-13(12)27-15(25)9-6-10(16(18,19)20)8-11(7-9)17(21,22)23/h2-8H,1H3