trifluoromethylsulfonyl 4-(2,2-dimethylpropoxy)-2,3,5-trimethyl-benzoate

Systemtic Name: trifluoromethylsulfonyl 4-(2,2-dimethylpropoxy)-2,3,5-trimethyl-benzoate Openeye Name: trifluoromethylsulfonyl 4-(2,2-dimethylpropoxy)-2,3,5-trimethyl-benzoate CAS Name: 4-(2,2-dimethylpropoxy)-2,3,5-trimethylbenzoic acid trifluoromethylsulfonyl ester IUPAC Name: trifluoromethylsulfonyl 4-(2,2-dimethylpropoxy)-2,3,5-trimethylbenzoate Traditional Name: 2,3,5-trimethyl-4-neopentyloxy-benzoic acid triflyl ester Formula: C16H21F3O5S MolecularWeight: 382.39515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)OS(=O)(=O)C(F)(F)F)C)C)OCC(C)(C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)OS(=O)(=O)C(F)(F)F)C)C)OCC(C)(C)C

InChI

InChI=1S/C16H21F3O5S/c1-9-7-12(14(20)24-25(21,22)16(17,18)19)10(2)11(3)13(9)23-8-15(4,5)6/h7H,8H2,1-6H3