methyl 4-bromanyl-2-methylsulfanyl-3-oxidanyl-benzoate

Systemtic Name: methyl 4-bromanyl-2-methylsulfanyl-3-oxidanyl-benzoate Openeye Name: methyl 4-bromo-3-hydroxy-2-methylsulfanyl-benzoate CAS Name: 4-bromo-3-hydroxy-2-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-hydroxy-2-methylsulfanylbenzoate Traditional Name: 4-bromo-3-hydroxy-2-(methylthio)benzoic acid methyl ester Formula: C9H9BrO3S MolecularWeight: 277.13496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1)Br)O)SC

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1)Br)O)SC

InChI

InChI=1S/C9H9BrO3S/c1-13-9(12)5-3-4-6(10)7(11)8(5)14-2/h3-4,11H,1-2H3