methyl 2-(1-oxidanylpropan-2-yl)-6-(trifluoromethylsulfonyl)benzoate

Systemtic Name: methyl 2-(1-oxidanylpropan-2-yl)-6-(trifluoromethylsulfonyl)benzoate Openeye Name: methyl 2-(2-hydroxy-1-methyl-ethyl)-6-(trifluoromethylsulfonyl)benzoate CAS Name: 2-(1-hydroxypropan-2-yl)-6-(trifluoromethylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-(1-hydroxypropan-2-yl)-6-(trifluoromethylsulfonyl)benzoate Traditional Name: 2-(2-hydroxy-1-methyl-ethyl)-6-triflyl-benzoic acid methyl ester Formula: C12H13F3O5S MolecularWeight: 326.28883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1=C(C(=CC=C1)S(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(CO)C1=C(C(=CC=C1)S(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C12H13F3O5S/c1-7(6-16)8-4-3-5-9(10(8)11(17)20-2)21(18,19)12(13,14)15/h3-5,7,16H,6H2,1-2H3