3-fluoranyl-4-methyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2-thienylmethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(thiophen-2-ylmethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2-thenylsulfonyl)benzoic acid Formula: C13H11FO4S2 MolecularWeight: 314.352443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CS2)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC2=CC=CS2)C(=O)O)F

InChI

InChI=1S/C13H11FO4S2/c1-8-11(14)5-9(13(15)16)6-12(8)20(17,18)7-10-3-2-4-19-10/h2-6H,7H2,1H3,(H,15,16)