2-bromanyl-5-[(5-chloranylthiophen-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(5-chloranylthiophen-2-yl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(5-chloro-2-thienyl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(5-chloro-2-thiophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(5-chlorothiophen-2-yl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(5-chloro-2-thienyl)methylsulfonyl]benzoic acid Formula: C12H8BrClO4S2 MolecularWeight: 395.67652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=C(S2)Cl)C(=O)O)Br

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)CC2=CC=C(S2)Cl)C(=O)O)Br

InChI

InChI=1S/C12H8BrClO4S2/c13-10-3-2-8(5-9(10)12(15)16)20(17,18)6-7-1-4-11(14)19-7/h1-5H,6H2,(H,15,16)