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4-methyl-2-propan-2-yl-6-(trifluoromethylsulfonyloxy)benzoic acid

4-methyl-2-propan-2-yl-6-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name:4-methyl-2-propan-2-yl-6-(trifluoromethylsulfonyloxy)benzoic acid
Openeye Name:2-isopropyl-4-methyl-6-(trifluoromethylsulfonyloxy)benzoic acid
CAS Name:4-methyl-2-propan-2-yl-6-(trifluoromethylsulfonyloxy)benzoic acid
IUPAC Name:4-methyl-2-propan-2-yl-6-(trifluoromethylsulfonyloxy)benzoic acid
Traditional Name:2-isopropyl-4-methyl-6-triflyloxy-benzoic acid
Formula: C12H13F3O5S
MolecularWeight: 326.28883
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13F3O5S/c1-6(2)8-4-7(3)5-9(10(8)11(16)17)20-21(18,19)12(13,14)15/h4-6H,1-3H3,(H,16,17)


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