4-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 4-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-(2-thenylsulfonyl)benzoic acid Formula: C12H10O4S2 MolecularWeight: 282.3354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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