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

Systemtic Name: 4-(4-methyl-3-phenyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(4-methyl-3-phenyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(4-methyl-3-phenylphenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(4-methyl-3-phenylphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(4-methyl-3-phenyl-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C19H16O4S3 MolecularWeight: 404.52294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(SC(=C2)C(=O)O)SC)C3=CC=CC=C3

InChI

InChI=1S/C19H16O4S3/c1-12-8-9-14(10-15(12)13-6-4-3-5-7-13)26(22,23)17-11-16(18(20)21)25-19(17)24-2/h3-11H,1-2H3,(H,20,21)