4-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 4-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methoxy-3-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 4-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-methoxy-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methoxy-3-(2-thenylsulfonyl)benzoic acid Formula: C13H12O5S2 MolecularWeight: 312.36138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

InChI

InChI=1S/C13H12O5S2/c1-18-11-5-4-9(13(14)15)7-12(11)20(16,17)8-10-3-2-6-19-10/h2-7H,8H2,1H3,(H,14,15)