1-[4-(3-bromanylpropoxy)-3-sulfanyl-phenyl]ethanone; methane

Systemtic Name: 1-[4-(3-bromanylpropoxy)-3-sulfanyl-phenyl]ethanone; methane Openeye Name: 1-[4-(3-bromopropoxy)-3-sulfanyl-phenyl]ethanone; methane CAS Name: 1-[4-(3-bromopropoxy)-3-mercaptophenyl]ethanone; methane IUPAC Name: 1-[4-(3-bromopropoxy)-3-sulfanylphenyl]ethanone; methane Traditional Name: 1-[4-(3-bromopropoxy)-3-mercapto-phenyl]ethanone; methane Formula: C12H17BrO2S MolecularWeight: 305.23118

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)C1=CC(=C(C=C1)OCCCBr)S

Isomeric SMILES

C.CC(=O)C1=CC(=C(C=C1)OCCCBr)S

InChI

InChI=1S/C11H13BrO2S.CH4/c1-8(13)9-3-4-10(11(15)7-9)14-6-2-5-12;/h3-4,7,15H,2,5-6H2,1H3;1H4