3,3-dimethylbut-1-ynyl 4-methylbenzenesulfonate

Systemtic Name: 3,3-dimethylbut-1-ynyl 4-methylbenzenesulfonate Openeye Name: 3,3-dimethylbut-1-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,3-dimethylbut-1-ynyl ester IUPAC Name: 3,3-dimethylbut-1-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,3-dimethylbut-1-ynyl ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-9-13(2,3)4/h5-8H,1-4H3