4-[4-(3-bromanylpropylsulfanyl)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(3-bromanylpropylsulfanyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(3-bromopropylsulfanyl)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-(3-bromopropylthio)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(3-bromopropylsulfanyl)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(3-bromopropylthio)phenyl]-4-keto-butyric acid Formula: C13H15BrO3S MolecularWeight: 331.2254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)O)SCCCBr

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)O)SCCCBr

InChI

InChI=1S/C13H15BrO3S/c14-8-1-9-18-11-4-2-10(3-5-11)12(15)6-7-13(16)17/h2-5H,1,6-9H2,(H,16,17)