2-[[3,5-dimethyl-4-(3-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-(3-methylsulfonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-(4-hydroxy-3-methylsulfonyl-phenoxy)-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-(4-hydroxy-3-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-(4-hydroxy-3-methylsulfonylphenoxy)-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-(4-hydroxy-3-mesyl-phenoxy)-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C17H17NO7S MolecularWeight: 379.38438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C)C)NC(=O)C(=O)O

InChI

InChI=1S/C17H17NO7S/c1-9-6-11(18-16(20)17(21)22)7-10(2)15(9)25-12-4-5-13(19)14(8-12)26(3,23)24/h4-8,19H,1-3H3,(H,18,20)(H,21,22)