S-[[3,5-bis(trifluoromethyl)phenyl]methyl] ethanethioate

Systemtic Name: S-[[3,5-bis(trifluoromethyl)phenyl]methyl] ethanethioate Openeye Name: S-[[3,5-bis(trifluoromethyl)phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3,5-bis(trifluoromethyl)phenyl]methyl] ester IUPAC Name: S-[[3,5-bis(trifluoromethyl)phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3,5-bis(trifluoromethyl)benzyl] ester Formula: C11H8F6OS MolecularWeight: 302.236039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C11H8F6OS/c1-6(18)19-5-7-2-8(10(12,13)14)4-9(3-7)11(15,16)17/h2-4H,5H2,1H3