2,2-dimethyl-3-(4-methylphenyl)sulfonyloxy-butanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxy-butanoic acid Openeye Name: 2,2-dimethyl-3-(p-tolylsulfonyloxy)butanoic acid CAS Name: 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxybutanoic acid IUPAC Name: 2,2-dimethyl-3-(4-methylphenyl)sulfonyloxybutanoic acid Traditional Name: 2,2-dimethyl-3-tosyloxy-butyric acid Formula: C13H18O5S MolecularWeight: 286.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(C)(C)C(=O)O

InChI

InChI=1S/C13H18O5S/c1-9-5-7-11(8-6-9)19(16,17)18-10(2)13(3,4)12(14)15/h5-8,10H,1-4H3,(H,14,15)