2-bromanyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-bromanyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2-bromo-5-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 2-bromo-5-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 2-bromo-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2-bromo-5-(2-thenylsulfonyl)benzoic acid Formula: C12H9BrO4S2 MolecularWeight: 361.23146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CSC(=C1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

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