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

Systemtic Name: 4-methyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 4-methyl-3-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(2-thenylsulfonyl)benzoic acid Formula: C13H12O4S2 MolecularWeight: 296.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=CS2

InChI

InChI=1S/C13H12O4S2/c1-9-4-5-10(13(14)15)7-12(9)19(16,17)8-11-3-2-6-18-11/h2-7H,8H2,1H3,(H,14,15)