4,4-dimethylpent-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4,4-dimethylpent-2-ynyl 4-methylbenzenesulfonate Openeye Name: 4,4-dimethylpent-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4,4-dimethylpent-2-ynyl ester IUPAC Name: 4,4-dimethylpent-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4,4-dimethylpent-2-ynyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-12-6-8-13(9-7-12)18(15,16)17-11-5-10-14(2,3)4/h6-9H,11H2,1-4H3