(2-bromanyl-4-methyl-phenyl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C14H10BrF3O3S MolecularWeight: 395.19161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrF3O3S/c1-9-5-6-13(12(15)7-9)21-22(19,20)11-4-2-3-10(8-11)14(16,17)18/h2-8H,1H3