(2,5-dimethylphenyl) 3-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 3-(trifluoromethyl)benzenesulfonate Openeye Name: (2,5-dimethylphenyl) 3-(trifluoromethyl)benzenesulfonate CAS Name: 3-(trifluoromethyl)benzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-(trifluoromethyl)benzenesulfonate Traditional Name: 3-(trifluoromethyl)benzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C15H13F3O3S MolecularWeight: 330.32213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3O3S/c1-10-6-7-11(2)14(8-10)21-22(19,20)13-5-3-4-12(9-13)15(16,17)18/h3-9H,1-2H3