3-bromanyl-5-[(3-bromophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-bromanyl-5-[(3-bromophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-bromo-5-[(3-bromophenyl)methylsulfanyl]benzoic acid CAS Name: 3-bromo-5-[(3-bromophenyl)methylthio]benzoic acid IUPAC Name: 3-bromo-5-[(3-bromophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-bromo-5-[(3-bromobenzyl)thio]benzoic acid Formula: C14H10Br2O2S MolecularWeight: 402.101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CSC2=CC(=CC(=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC(=C1)Br)CSC2=CC(=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C14H10Br2O2S/c15-11-3-1-2-9(4-11)8-19-13-6-10(14(17)18)5-12(16)7-13/h1-7H,8H2,(H,17,18)