3,3-dimethylbutan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3,3-dimethylbutan-2-yl 4-methylbenzenesulfonate Openeye Name: 1,2,2-trimethylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3-dimethylbutan-2-yl ester IUPAC Name: 3,3-dimethylbutan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,2,2-trimethylpropyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-10-6-8-12(9-7-10)17(14,15)16-11(2)13(3,4)5/h6-9,11H,1-5H3