1-tert-butyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene

Systemtic Name: 1-tert-butyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene Openeye Name: 1-tert-butyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene CAS Name: 1-tert-butyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene IUPAC Name: 1-tert-butyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene Traditional Name: 1-tert-butyl-4-(2-triflylethynyl)benzene Formula: C13H13F3O2S MolecularWeight: 290.30133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H13F3O2S/c1-12(2,3)11-6-4-10(5-7-11)8-9-19(17,18)13(14,15)16/h4-7H,1-3H3