methyl 4-[4-(3-bromanylpropylsulfanyl)phenyl]-4-oxidanyl-butanoate

Systemtic Name: methyl 4-[4-(3-bromanylpropylsulfanyl)phenyl]-4-oxidanyl-butanoate Openeye Name: methyl 4-[4-(3-bromopropylsulfanyl)phenyl]-4-hydroxy-butanoate CAS Name: 4-[4-(3-bromopropylthio)phenyl]-4-hydroxybutanoic acid methyl ester IUPAC Name: methyl 4-[4-(3-bromopropylsulfanyl)phenyl]-4-hydroxybutanoate Traditional Name: 4-[4-(3-bromopropylthio)phenyl]-4-hydroxy-butyric acid methyl ester Formula: C14H19BrO3S MolecularWeight: 347.26786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C1=CC=C(C=C1)SCCCBr)O

Isomeric SMILES

COC(=O)CCC(C1=CC=C(C=C1)SCCCBr)O

InChI

InChI=1S/C14H19BrO3S/c1-18-14(17)8-7-13(16)11-3-5-12(6-4-11)19-10-2-9-15/h3-6,13,16H,2,7-10H2,1H3