(4-methylsulfanylphenyl)methyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [4-(methylthio)benzyl] ester Formula: C15H13BrO3S MolecularWeight: 353.23092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C15H13BrO3S/c1-20-12-5-2-10(3-6-12)9-19-15(18)13-8-11(16)4-7-14(13)17/h2-8,17H,9H2,1H3