(4-bromophenyl)methyl 2-[(4-bromophenyl)methylsulfanyl]benzoate

Systemtic Name: (4-bromophenyl)methyl 2-[(4-bromophenyl)methylsulfanyl]benzoate Openeye Name: (4-bromophenyl)methyl 2-[(4-bromophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-bromophenyl)methylthio]benzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 2-[(4-bromophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-bromobenzyl)thio]benzoic acid (4-bromobenzyl) ester Formula: C21H16Br2O2S MolecularWeight: 492.22354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Br)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H16Br2O2S/c22-17-9-5-15(6-10-17)13-25-21(24)19-3-1-2-4-20(19)26-14-16-7-11-18(23)12-8-16/h1-12H,13-14H2