[4-(2-bromanylethanoyl)-2-methylsulfanyl-phenyl] benzoate

Systemtic Name: [4-(2-bromanylethanoyl)-2-methylsulfanyl-phenyl] benzoate Openeye Name: [4-(2-bromoacetyl)-2-methylsulfanyl-phenyl] benzoate CAS Name: benzoic acid [4-(2-bromo-1-oxoethyl)-2-(methylthio)phenyl] ester IUPAC Name: [4-(2-bromoacetyl)-2-methylsulfanylphenyl] benzoate Traditional Name: benzoic acid [4-(2-bromoacetyl)-2-(methylthio)phenyl] ester Formula: C16H13BrO3S MolecularWeight: 365.24162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC1=C(C=CC(=C1)C(=O)CBr)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13BrO3S/c1-21-15-9-12(13(18)10-17)7-8-14(15)20-16(19)11-5-3-2-4-6-11/h2-9H,10H2,1H3