2,2-dimethylpropanoic acid; 4-methylbenzenesulfonate

Systemtic Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonate Openeye Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonate CAS Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonate IUPAC Name: 2,2-dimethylpropanoic acid; 4-methylbenzenesulfonate Traditional Name: 2,2-dimethylpropionic acid tosylate Formula: C12H17O5S- MolecularWeight: 273.32538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)(C)C(=O)O

InChI

InChI=1S/C7H8O3S.C5H10O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2,3)4(6)7/h2-5H,1H3,(H,8,9,10);1-3H3,(H,6,7)/p-1