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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CN=CC=C1CS(=O)(=O)C2=C(C(=CC(=C2)Cl)C(=O)O)Cl

InChI

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