ethyl 2-[bis(fluoranyl)-methylsulfanyl-methyl]-2-bromanyl-6-(2,2-dimethylpropanoyloxy)hexanoate

Systemtic Name: ethyl 2-[bis(fluoranyl)-methylsulfanyl-methyl]-2-bromanyl-6-(2,2-dimethylpropanoyloxy)hexanoate Openeye Name: ethyl 2-bromo-2-[difluoro(methylsulfanyl)methyl]-6-(2,2-dimethylpropanoyloxy)hexanoate CAS Name: 2-bromo-2-[difluoro-(methylthio)methyl]-6-(2,2-dimethyl-1-oxopropoxy)hexanoic acid ethyl ester IUPAC Name: ethyl 2-bromo-2-[difluoro(methylsulfanyl)methyl]-6-(2,2-dimethylpropanoyloxy)hexanoate Traditional Name: 2-bromo-2-[difluoro-(methylthio)methyl]-6-pivaloyloxy-hexanoic acid ethyl ester Formula: C15H25BrF2O4S MolecularWeight: 419.322406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCOC(=O)C(C)(C)C)(C(F)(F)SC)Br

Isomeric SMILES

CCOC(=O)C(CCCCOC(=O)C(C)(C)C)(C(F)(F)SC)Br

InChI

InChI=1S/C15H25BrF2O4S/c1-6-21-12(20)14(16,15(17,18)23-5)9-7-8-10-22-11(19)13(2,3)4/h6-10H2,1-5H3