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5-methylsulfonyl-2-[1,1,1-tris(fluoranyl)butan-2-yloxy]benzoic acid

5-methylsulfonyl-2-[1,1,1-tris(fluoranyl)butan-2-yloxy]benzoic acid

Systemtic Name:5-methylsulfonyl-2-[1,1,1-tris(fluoranyl)butan-2-yloxy]benzoic acid
Openeye Name:5-methylsulfonyl-2-[1-(trifluoromethyl)propoxy]benzoic acid
CAS Name:5-methylsulfonyl-2-(1,1,1-trifluorobutan-2-yloxy)benzoic acid
IUPAC Name:5-methylsulfonyl-2-(1,1,1-trifluorobutan-2-yloxy)benzoic acid
Traditional Name:5-mesyl-2-[1-(trifluoromethyl)propoxy]benzoic acid
Formula: C12H13F3O5S
MolecularWeight: 326.28883
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O


Isomeric SMILES

CCC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O


InChI

InChI=1S/C12H13F3O5S/c1-3-10(12(13,14)15)20-9-5-4-7(21(2,18)19)6-8(9)11(16)17/h4-6,10H,3H2,1-2H3,(H,16,17)


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