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

Systemtic Name: 2,5-bis(chloranyl)-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Openeye Name: 2,5-dichloro-3-[(3-methylisoxazol-5-yl)methylsulfonyl]benzoic acid CAS Name: 2,5-dichloro-3-[(3-methyl-5-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 2,5-dichloro-3-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]benzoic acid Traditional Name: 2,5-dichloro-3-[(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(=CC(=C2)Cl)C(=O)O)Cl

Isomeric SMILES

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

InChI

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