2,4-bis(chloranyl)-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Openeye Name: 2,4-dichloro-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic acid CAS Name: 2,4-dichloro-5-[(3-methyl-5-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Traditional Name: 2,4-dichloro-5-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic acid Formula: C12H9Cl2NO5S MolecularWeight: 350.17456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=NOC(=C1)CS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C12H9Cl2NO5S/c1-6-2-7(20-15-6)5-21(18,19)11-3-8(12(16)17)9(13)4-10(11)14/h2-4H,5H2,1H3,(H,16,17)