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

Systemtic Name: 4-(3-bromanyl-5-oxidanyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-bromo-5-hydroxy-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(3-bromo-5-hydroxyphenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-bromo-5-hydroxy-phenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C12H9BrO5S3 MolecularWeight: 409.29586

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrO5S3/c1-19-12-10(5-9(20-12)11(15)16)21(17,18)8-3-6(13)2-7(14)4-8/h2-5,14H,1H3,(H,15,16)