4-[2-(4-bromophenyl)sulfonylethylsulfanylmethyl]benzoic acid

Systemtic Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanylmethyl]benzoic acid Openeye Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanylmethyl]benzoic acid CAS Name: 4-[[2-(4-bromophenyl)sulfonylethylthio]methyl]benzoic acid IUPAC Name: 4-[2-(4-bromophenyl)sulfonylethylsulfanylmethyl]benzoic acid Traditional Name: 4-[(2-brosylethylthio)methyl]benzoic acid Formula: C16H15BrO4S2 MolecularWeight: 415.3219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSCCS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H15BrO4S2/c17-14-5-7-15(8-6-14)23(20,21)10-9-22-11-12-1-3-13(4-2-12)16(18)19/h1-8H,9-11H2,(H,18,19)