[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-methylphenyl)propan-2-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-methylphenyl)propan-2-yl] 4-chloranylbenzenesulfonate Openeye Name: [2,2,2-trifluoro-1-(p-tolyl)-1-(trifluoromethyl)ethyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl] ester IUPAC Name: [1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2,2,2-trifluoro-1-(p-tolyl)-1-(trifluoromethyl)ethyl] ester Formula: C16H11ClF6O3S MolecularWeight: 432.765159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H11ClF6O3S/c1-10-2-4-11(5-3-10)14(15(18,19)20,16(21,22)23)26-27(24,25)13-8-6-12(17)7-9-13/h2-9H,1H3