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

Systemtic Name: 5-methylsulfanyl-4-(3-oxidanyl-5-phenyl-phenyl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-hydroxy-5-phenyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(3-hydroxy-5-phenylphenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(3-hydroxy-5-phenylphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-hydroxy-5-phenyl-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C18H14O5S3 MolecularWeight: 406.49576

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C18H14O5S3/c1-24-18-16(10-15(25-18)17(20)21)26(22,23)14-8-12(7-13(19)9-14)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,20,21)