1-[4-(3-bromanylpropylsulfanyl)-2-oxidanyl-3-propyl-phenyl]ethanone

Systemtic Name: 1-[4-(3-bromanylpropylsulfanyl)-2-oxidanyl-3-propyl-phenyl]ethanone Openeye Name: 1-[4-(3-bromopropylsulfanyl)-2-hydroxy-3-propyl-phenyl]ethanone CAS Name: 1-[4-(3-bromopropylthio)-2-hydroxy-3-propylphenyl]ethanone IUPAC Name: 1-[4-(3-bromopropylsulfanyl)-2-hydroxy-3-propylphenyl]ethanone Traditional Name: 1-[4-(3-bromopropylthio)-2-hydroxy-3-propyl-phenyl]ethanone Formula: C14H19BrO2S MolecularWeight: 331.26846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCBr

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)SCCCBr

InChI

InChI=1S/C14H19BrO2S/c1-3-5-12-13(18-9-4-8-15)7-6-11(10(2)16)14(12)17/h6-7,17H,3-5,8-9H2,1-2H3