3-[4-(3,4-dimethylphenoxy)-2-methyl-phenyl]sulfonyl-2-methyl-2-oxidanyl-propanoic acid

Systemtic Name: 3-[4-(3,4-dimethylphenoxy)-2-methyl-phenyl]sulfonyl-2-methyl-2-oxidanyl-propanoic acid Openeye Name: 3-[4-(3,4-dimethylphenoxy)-2-methyl-phenyl]sulfonyl-2-hydroxy-2-methyl-propanoic acid CAS Name: 3-[4-(3,4-dimethylphenoxy)-2-methylphenyl]sulfonyl-2-hydroxy-2-methylpropanoic acid IUPAC Name: 3-[4-(3,4-dimethylphenoxy)-2-methylphenyl]sulfonyl-2-hydroxy-2-methylpropanoic acid Traditional Name: 3-[4-(3,4-dimethylphenoxy)-2-methyl-phenyl]sulfonyl-2-hydroxy-2-methyl-propionic acid Formula: C19H22O6S MolecularWeight: 378.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=CC(=C(C=C2)S(=O)(=O)CC(C)(C(=O)O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=CC(=C(C=C2)S(=O)(=O)CC(C)(C(=O)O)O)C)C

InChI

InChI=1S/C19H22O6S/c1-12-5-6-15(9-13(12)2)25-16-7-8-17(14(3)10-16)26(23,24)11-19(4,22)18(20)21/h5-10,22H,11H2,1-4H3,(H,20,21)