1-butylsulfanyl-3,5-bis(trifluoromethylsulfonyl)benzene

Systemtic Name: 1-butylsulfanyl-3,5-bis(trifluoromethylsulfonyl)benzene Openeye Name: 1-butylsulfanyl-3,5-bis(trifluoromethylsulfonyl)benzene CAS Name: 1-(butylthio)-3,5-bis(trifluoromethylsulfonyl)benzene IUPAC Name: 1-butylsulfanyl-3,5-bis(trifluoromethylsulfonyl)benzene Traditional Name: 1-(butylthio)-3,5-ditriflyl-benzene Formula: C12H12F6O4S3 MolecularWeight: 430.406699

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCSC1=CC(=CC(=C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H12F6O4S3/c1-2-3-4-23-8-5-9(24(19,20)11(13,14)15)7-10(6-8)25(21,22)12(16,17)18/h5-7H,2-4H2,1H3