4-[2,3-bis(chloranyl)-4-methylsulfonyl-phenyl]carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid

Systemtic Name: 4-[2,3-bis(chloranyl)-4-methylsulfonyl-phenyl]carbonyl-5-cyclopropyl-1,2-oxazole-3-carboxylic acid Openeye Name: 5-cyclopropyl-4-(2,3-dichloro-4-methylsulfonyl-benzoyl)isoxazole-3-carboxylic acid CAS Name: 5-cyclopropyl-4-[(2,3-dichloro-4-methylsulfonylphenyl)-oxomethyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-cyclopropyl-4-(2,3-dichloro-4-methylsulfonylbenzoyl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-cyclopropyl-4-(2,3-dichloro-4-mesyl-benzoyl)isoxazole-3-carboxylic acid Formula: C15H11Cl2NO6S MolecularWeight: 404.22194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2=C(ON=C2C(=O)O)C3CC3)Cl)Cl

InChI

InChI=1S/C15H11Cl2NO6S/c1-25(22,23)8-5-4-7(10(16)11(8)17)13(19)9-12(15(20)21)18-24-14(9)6-2-3-6/h4-6H,2-3H2,1H3,(H,20,21)