2-[4-(3-bromanylpropylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-bromanylpropylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-[4-(3-bromopropylsulfanyl)phenyl]acetic acid CAS Name: 2-[4-(3-bromopropylthio)phenyl]acetic acid IUPAC Name: 2-[4-(3-bromopropylsulfanyl)phenyl]acetic acid Traditional Name: 2-[4-(3-bromopropylthio)phenyl]acetic acid Formula: C11H13BrO2S MolecularWeight: 289.18872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)SCCCBr

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)SCCCBr

InChI

InChI=1S/C11H13BrO2S/c12-6-1-7-15-10-4-2-9(3-5-10)8-11(13)14/h2-5H,1,6-8H2,(H,13,14)