2,6-bis(chloranyl)-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Openeye Name: 2,6-dichloro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid CAS Name: 2,6-dichloro-3-[2-(1-imidazolyl)ethylsulfonyl]benzoic acid IUPAC Name: 2,6-dichloro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Traditional Name: 2,6-dichloro-3-(2-imidazol-1-ylethylsulfonyl)benzoic acid Formula: C12H10Cl2N2O4S MolecularWeight: 349.1898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1S(=O)(=O)CCN2C=CN=C2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1S(=O)(=O)CCN2C=CN=C2)Cl)C(=O)O)Cl

InChI

InChI=1S/C12H10Cl2N2O4S/c13-8-1-2-9(11(14)10(8)12(17)18)21(19,20)6-5-16-4-3-15-7-16/h1-4,7H,5-6H2,(H,17,18)