4-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfanyl-4-oxidanyl-butan-2-one

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]-1-methylsulfanyl-4-oxidanyl-butan-2-one Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-methylsulfanyl-butan-2-one CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-(methylthio)-2-butanone IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-methylsulfanylbutan-2-one Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-1-(methylthio)butan-2-one Formula: C13H12F6O2S MolecularWeight: 346.288599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F6O2S/c1-22-6-10(20)5-11(21)7-2-8(12(14,15)16)4-9(3-7)13(17,18)19/h2-4,11,21H,5-6H2,1H3