2-chloranyl-4-imidazol-1-yl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-imidazol-1-yl-5-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-4-imidazol-1-yl-5-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-(1-imidazolyl)-5-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-4-imidazol-1-yl-5-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-imidazol-1-yl-5-mesyl-benzoic acid Formula: C11H9ClN2O4S MolecularWeight: 300.71816

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)N2C=CN=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)Cl)N2C=CN=C2

InChI

InChI=1S/C11H9ClN2O4S/c1-19(17,18)10-4-7(11(15)16)8(12)5-9(10)14-3-2-13-6-14/h2-6H,1H3,(H,15,16)