[4-bromanyl-3,4,4-tris(fluoranyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [4-bromanyl-3,4,4-tris(fluoranyl)butyl] 4-methylbenzenesulfonate Openeye Name: (4-bromo-3,4,4-trifluoro-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-bromo-3,4,4-trifluorobutyl) ester IUPAC Name: (4-bromo-3,4,4-trifluorobutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-bromo-3,4,4-trifluoro-butyl) ester Formula: C11H12BrF3O3S MolecularWeight: 361.17539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(F)(F)Br)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C(F)(F)Br)F

InChI

InChI=1S/C11H12BrF3O3S/c1-8-2-4-9(5-3-8)19(16,17)18-7-6-10(13)11(12,14)15/h2-5,10H,6-7H2,1H3