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2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonyl-propanoic acid

2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonyl-propanoic acid

Systemtic Name:2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonyl-propanoic acid
Openeye Name:2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonyl-propanoic acid
CAS Name:2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonylpropanoic acid
IUPAC Name:2-methyl-3-[4-(trifluoromethylsulfonyloxy)phenyl]sulfonylpropanoic acid
Traditional Name:2-methyl-3-(4-triflyloxyphenyl)sulfonyl-propionic acid
Formula: C11H11F3O7S2
MolecularWeight: 376.32605
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C11H11F3O7S2/c1-7(10(15)16)6-22(17,18)9-4-2-8(3-5-9)21-23(19,20)11(12,13)14/h2-5,7H,6H2,1H3,(H,15,16)


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