methyl 2,4-bis(4-bromophenyl)-6-methylsulfanyl-benzoate

Systemtic Name: methyl 2,4-bis(4-bromophenyl)-6-methylsulfanyl-benzoate Openeye Name: methyl 2,4-bis(4-bromophenyl)-6-methylsulfanyl-benzoate CAS Name: 2,4-bis(4-bromophenyl)-6-(methylthio)benzoic acid methyl ester IUPAC Name: methyl 2,4-bis(4-bromophenyl)-6-methylsulfanylbenzoate Traditional Name: 2,4-bis(4-bromophenyl)-6-(methylthio)benzoic acid methyl ester Formula: C21H16Br2O2S MolecularWeight: 492.22354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1SC)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16Br2O2S/c1-25-21(24)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)26-2)13-3-7-16(22)8-4-13/h3-12H,1-2H3