1-phenylhex-1-yn-3-yl methanesulfonate

Systemtic Name: 1-phenylhex-1-yn-3-yl methanesulfonate Openeye Name: 1-(2-phenylethynyl)butyl methanesulfonate CAS Name: methanesulfonic acid 1-phenylhex-1-yn-3-yl ester IUPAC Name: 1-phenylhex-1-yn-3-yl methanesulfonate Traditional Name: methanesulfonic acid (3-phenyl-1-propyl-prop-2-ynyl) ester Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C#CC1=CC=CC=C1)OS(=O)(=O)C

Isomeric SMILES

CCCC(C#CC1=CC=CC=C1)OS(=O)(=O)C

InChI

InChI=1S/C13H16O3S/c1-3-7-13(16-17(2,14)15)11-10-12-8-5-4-6-9-12/h4-6,8-9,13H,3,7H2,1-2H3