ethyl 3-(5-bromanylpentylsulfanyl)-3-methyl-butanoate

Systemtic Name: ethyl 3-(5-bromanylpentylsulfanyl)-3-methyl-butanoate Openeye Name: ethyl 3-(5-bromopentylsulfanyl)-3-methyl-butanoate CAS Name: 3-(5-bromopentylthio)-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-bromopentylsulfanyl)-3-methylbutanoate Traditional Name: 3-(5-bromopentylthio)-3-methyl-butyric acid ethyl ester Formula: C12H23BrO2S MolecularWeight: 311.27882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)SCCCCCBr

Isomeric SMILES

CCOC(=O)CC(C)(C)SCCCCCBr

InChI

InChI=1S/C12H23BrO2S/c1-4-15-11(14)10-12(2,3)16-9-7-5-6-8-13/h4-10H2,1-3H3