2-methyl-4-methylsulfonyl-3-(4-methylthiophen-2-yl)benzoic acid

Systemtic Name: 2-methyl-4-methylsulfonyl-3-(4-methylthiophen-2-yl)benzoic acid Openeye Name: 2-methyl-4-methylsulfonyl-3-(4-methyl-2-thienyl)benzoic acid CAS Name: 2-methyl-4-methylsulfonyl-3-(4-methyl-2-thiophenyl)benzoic acid IUPAC Name: 2-methyl-4-methylsulfonyl-3-(4-methylthiophen-2-yl)benzoic acid Traditional Name: 4-mesyl-2-methyl-3-(4-methyl-2-thienyl)benzoic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=C1)C2=C(C=CC(=C2C)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C14H14O4S2/c1-8-6-11(19-7-8)13-9(2)10(14(15)16)4-5-12(13)20(3,17)18/h4-7H,1-3H3,(H,15,16)