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

Systemtic Name: 4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-(3-bromophenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(3-bromophenyl)sulfonyl-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(3-bromophenyl)sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-(3-bromophenyl)sulfonyl-5-(methylthio)-2-thenoic acid Formula: C12H9BrO4S3 MolecularWeight: 393.29646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrO4S3/c1-18-12-10(6-9(19-12)11(14)15)20(16,17)8-4-2-3-7(13)5-8/h2-6H,1H3,(H,14,15)