4-(4-chlorophenyl)sulfonyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(4-chlorophenyl)sulfonyl-3-methyl-5-(methylthio)-2-thenoic acid Formula: C13H11ClO4S3 MolecularWeight: 362.87204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)SC)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)SC)C(=O)O

InChI

InChI=1S/C13H11ClO4S3/c1-7-10(12(15)16)20-13(19-2)11(7)21(17,18)9-5-3-8(14)4-6-9/h3-6H,1-2H3,(H,15,16)