3-[(5-bromanylthiophen-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfonyl]benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfonyl]benzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]benzoic acid Formula: C12H9BrO4S2 MolecularWeight: 361.23146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)CC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C12H9BrO4S2/c13-11-5-4-9(18-11)7-19(16,17)10-3-1-2-8(6-10)12(14)15/h1-6H,7H2,(H,14,15)