4-(2,2-dimethylpropanoyloxy)benzenesulfonic acid

Systemtic Name: 4-(2,2-dimethylpropanoyloxy)benzenesulfonic acid Openeye Name: 4-(2,2-dimethylpropanoyloxy)benzenesulfonic acid CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)benzenesulfonic acid IUPAC Name: 4-(2,2-dimethylpropanoyloxy)benzenesulfonic acid Traditional Name: 4-pivaloyloxybesylic acid Formula: C11H14O5S MolecularWeight: 258.29086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H14O5S/c1-11(2,3)10(12)16-8-4-6-9(7-5-8)17(13,14)15/h4-7H,1-3H3,(H,13,14,15)