2-[3,5-dimethyl-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyloxy-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyloxy-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-(1,1-dimethylpropyl)phenyl]sulfonyloxy-3,5-dimethyl-phenyl]-2-oxo-acetic acid CAS Name: 2-[3,5-dimethyl-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyloxyphenyl]-2-oxoacetic acid IUPAC Name: 2-[3,5-dimethyl-4-[4-(2-methylbutan-2-yl)phenyl]sulfonyloxyphenyl]-2-oxoacetic acid Traditional Name: 2-[4-(4-tert-amylphenyl)sulfonyloxy-3,5-dimethyl-phenyl]-2-keto-acetic acid Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C(=O)C(=O)O)C

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2C)C(=O)C(=O)O)C

InChI

InChI=1S/C21H24O6S/c1-6-21(4,5)16-7-9-17(10-8-16)28(25,26)27-19-13(2)11-15(12-14(19)3)18(22)20(23)24/h7-12H,6H2,1-5H3,(H,23,24)