3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl methanesulfonate

Systemtic Name: 3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl methanesulfonate Openeye Name: 3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 3-[2-(3,3-dimethylbut-1-ynyl)phenyl]prop-2-ynyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC=CC=C1C#CCOS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C#CC1=CC=CC=C1C#CCOS(=O)(=O)C

InChI

InChI=1S/C16H18O3S/c1-16(2,3)12-11-15-9-6-5-8-14(15)10-7-13-19-20(4,17)18/h5-6,8-9H,13H2,1-4H3