2,6-bis(chloranyl)-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 2,6-bis(chloranyl)-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 2,6-dichloro-3-(isoxazol-5-ylmethylsulfonyl)benzoic acid CAS Name: 2,6-dichloro-3-(5-isoxazolylmethylsulfonyl)benzoic acid IUPAC Name: 2,6-dichloro-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 2,6-dichloro-3-(isoxazol-5-ylmethylsulfonyl)benzoic acid Formula: C11H7Cl2NO5S MolecularWeight: 336.14798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1S(=O)(=O)CC2=CC=NO2)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C(=C1S(=O)(=O)CC2=CC=NO2)Cl)C(=O)O)Cl

InChI

InChI=1S/C11H7Cl2NO5S/c12-7-1-2-8(10(13)9(7)11(15)16)20(17,18)5-6-3-4-14-19-6/h1-4H,5H2,(H,15,16)