2-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 2-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 2-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 2-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 2-(2-thenylsulfonyl)benzoic acid Formula: C12H10O4S2 MolecularWeight: 282.3354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

InChI

InChI=1S/C12H10O4S2/c13-12(14)10-5-1-2-6-11(10)18(15,16)8-9-4-3-7-17-9/h1-7H,8H2,(H,13,14)