[4-(3-bromanylpropylsulfanyl)-3-chloranyl-phenyl] butanoate

Systemtic Name: [4-(3-bromanylpropylsulfanyl)-3-chloranyl-phenyl] butanoate Openeye Name: [4-(3-bromopropylsulfanyl)-3-chloro-phenyl] butanoate CAS Name: butanoic acid [4-(3-bromopropylthio)-3-chlorophenyl] ester IUPAC Name: [4-(3-bromopropylsulfanyl)-3-chlorophenyl] butanoate Traditional Name: butyric acid [4-(3-bromopropylthio)-3-chloro-phenyl] ester Formula: C13H16BrClO2S MolecularWeight: 351.68694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=C(C=C1)SCCCBr)Cl

Isomeric SMILES

CCCC(=O)OC1=CC(=C(C=C1)SCCCBr)Cl

InChI

InChI=1S/C13H16BrClO2S/c1-2-4-13(16)17-10-5-6-12(11(15)9-10)18-8-3-7-14/h5-6,9H,2-4,7-8H2,1H3