2-bromanyl-5-methylsulfanyl-benzoic acid

Systemtic Name: 2-bromanyl-5-methylsulfanyl-benzoic acid Openeye Name: 2-bromo-5-methylsulfanyl-benzoic acid CAS Name: 2-bromo-5-(methylthio)benzoic acid IUPAC Name: 2-bromo-5-methylsulfanylbenzoic acid Traditional Name: 2-bromo-5-(methylthio)benzoic acid Formula: C8H7BrO2S MolecularWeight: 247.10898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)