3-bromanyl-4-[(3-bromophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[(3-bromophenyl)methylsulfanyl]benzoic acid Openeye Name: 3-bromo-4-[(3-bromophenyl)methylsulfanyl]benzoic acid CAS Name: 3-bromo-4-[(3-bromophenyl)methylthio]benzoic acid IUPAC Name: 3-bromo-4-[(3-bromophenyl)methylsulfanyl]benzoic acid Traditional Name: 3-bromo-4-[(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=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

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

InChI

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