5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-(benzenesulfonyl)-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-(benzenesulfonyl)-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-besyl-5-(methylthio)-2-thenoic acid Formula: C12H10O4S3 MolecularWeight: 314.4004

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H10O4S3/c1-17-12-10(7-9(18-12)11(13)14)19(15,16)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)