3-iodanyl-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 3-iodanyl-5-methylsulfanyl-4-propan-2-ylsulfonyl-thiophene-2-carboxylic acid Openeye Name: 3-iodo-4-isopropylsulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 3-iodo-5-(methylthio)-4-propan-2-ylsulfonyl-2-thiophenecarboxylic acid IUPAC Name: 3-iodo-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid Traditional Name: 3-iodo-4-isopropylsulfonyl-5-(methylthio)-2-thenoic acid Formula: C9H11IO4S3 MolecularWeight: 406.28071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(SC(=C1I)C(=O)O)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(SC(=C1I)C(=O)O)SC

InChI

InChI=1S/C9H11IO4S3/c1-4(2)17(13,14)7-5(10)6(8(11)12)16-9(7)15-3/h4H,1-3H3,(H,11,12)