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2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-bromanylpropanoate

2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-bromanylpropanoate

Systemtic Name:2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-bromanylpropanoate
Openeye Name:2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-bromopropanoate
CAS Name:2-bromopropanoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
IUPAC Name:2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 2-bromopropanoate
Traditional Name:2-bromopropionic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester
Formula: C13H11BrF6O4S
MolecularWeight: 457.183459
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Br


Isomeric SMILES

CC(C(=O)OCCS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Br


InChI

InChI=1S/C13H11BrF6O4S/c1-7(14)11(21)24-2-3-25(22,23)10-5-8(12(15,16)17)4-9(6-10)13(18,19)20/h4-7H,2-3H2,1H3


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