2,4-bis(chloranyl)-5-(pyridin-3-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(pyridin-3-ylmethylsulfonyl)benzoic acid Openeye Name: 2,4-dichloro-5-(3-pyridylmethylsulfonyl)benzoic acid CAS Name: 2,4-dichloro-5-(3-pyridinylmethylsulfonyl)benzoic acid IUPAC Name: 2,4-dichloro-5-(pyridin-3-ylmethylsulfonyl)benzoic acid Traditional Name: 2,4-dichloro-5-(3-pyridylmethylsulfonyl)benzoic acid Formula: C13H9Cl2NO4S MolecularWeight: 346.18586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2NO4S/c14-10-5-11(15)12(4-9(10)13(17)18)21(19,20)7-8-2-1-3-16-6-8/h1-6H,7H2,(H,17,18)