methyl 2-bromanyl-4-methylsulfanyl-6-phenyl-benzoate

Systemtic Name: methyl 2-bromanyl-4-methylsulfanyl-6-phenyl-benzoate Openeye Name: methyl 2-bromo-4-methylsulfanyl-6-phenyl-benzoate CAS Name: 2-bromo-4-(methylthio)-6-phenylbenzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-methylsulfanyl-6-phenylbenzoate Traditional Name: 2-bromo-4-(methylthio)-6-phenyl-benzoic acid methyl ester Formula: C15H13BrO2S MolecularWeight: 337.23152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1C2=CC=CC=C2)SC)Br

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1C2=CC=CC=C2)SC)Br

InChI

InChI=1S/C15H13BrO2S/c1-18-15(17)14-12(10-6-4-3-5-7-10)8-11(19-2)9-13(14)16/h3-9H,1-2H3