4-methylbenzenesulfonate; 1,1,2-tris(fluoranyl)but-1-ene

Systemtic Name: 4-methylbenzenesulfonate; 1,1,2-tris(fluoranyl)but-1-ene Openeye Name: 4-methylbenzenesulfonate; 1,1,2-trifluorobut-1-ene CAS Name: 4-methylbenzenesulfonate; 1,1,2-trifluoro-1-butene IUPAC Name: 4-methylbenzenesulfonate; 1,1,2-trifluorobut-1-ene Traditional Name: 1,1,2-trifluorobut-1-ene tosylate Formula: C11H12F3O3S- MolecularWeight: 281.27139

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(F)F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC(=C(F)F)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C4H5F3/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3(5)4(6)7/h2-5H,1H3,(H,8,9,10);2H2,1H3/p-1