2,6-bis(chloranyl)-3-(pyridin-4-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Openeye Name: 2,6-dichloro-3-(4-pyridylmethylsulfonyl)benzoic acid CAS Name: 2,6-dichloro-3-(pyridin-4-ylmethylsulfonyl)benzoic acid IUPAC Name: 2,6-dichloro-3-(pyridin-4-ylmethylsulfonyl)benzoic acid Traditional Name: 2,6-dichloro-3-(4-pyridylmethylsulfonyl)benzoic acid Formula: C13H9Cl2NO4S MolecularWeight: 346.18586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1S(=O)(=O)CC2=CC=NC=C2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1S(=O)(=O)CC2=CC=NC=C2)Cl)C(=O)O)Cl

InChI

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