4-(2-bromanyl-5-methylsulfanyl-phenyl)butanoic acid

Systemtic Name: 4-(2-bromanyl-5-methylsulfanyl-phenyl)butanoic acid Openeye Name: 4-(2-bromo-5-methylsulfanyl-phenyl)butanoic acid CAS Name: 4-[2-bromo-5-(methylthio)phenyl]butanoic acid IUPAC Name: 4-(2-bromo-5-methylsulfanylphenyl)butanoic acid Traditional Name: 4-[2-bromo-5-(methylthio)phenyl]butyric acid Formula: C11H13BrO2S MolecularWeight: 289.18872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Br)CCCC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Br)CCCC(=O)O

InChI

InChI=1S/C11H13BrO2S/c1-15-9-5-6-10(12)8(7-9)3-2-4-11(13)14/h5-7H,2-4H2,1H3,(H,13,14)