2-chloranyl-4-methylsulfonyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-chloranyl-4-methylsulfonyl-benzene-1,3-dicarboxylic acid Openeye Name: 2-chloro-4-methylsulfonyl-benzene-1,3-dicarboxylic acid CAS Name: 2-chloro-4-methylsulfonylbenzene-1,3-dicarboxylic acid IUPAC Name: 2-chloro-4-methylsulfonylbenzene-1,3-dicarboxylic acid Traditional Name: 2-chloro-4-mesyl-isophthalic acid Formula: C9H7ClO6S MolecularWeight: 278.66628

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)C(=O)O

InChI

InChI=1S/C9H7ClO6S/c1-17(15,16)5-3-2-4(8(11)12)7(10)6(5)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)