2,2,3,4,4,4-hexakis(fluoranyl)butyl 4-methylbenzenesulfonate

Systemtic Name: 2,2,3,4,4,4-hexakis(fluoranyl)butyl 4-methylbenzenesulfonate Openeye Name: 2,2,3,4,4,4-hexafluorobutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,2,3,4,4,4-hexafluorobutyl ester IUPAC Name: 2,2,3,4,4,4-hexafluorobutyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,2,3,4,4,4-hexafluorobutyl ester Formula: C11H10F6O3S MolecularWeight: 336.250719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(F)(F)F)F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(F)(F)F)F)(F)F

InChI

InChI=1S/C11H10F6O3S/c1-7-2-4-8(5-3-7)21(18,19)20-6-10(13,14)9(12)11(15,16)17/h2-5,9H,6H2,1H3