5-phenylpent-1-yn-3-yl methanesulfonate

Systemtic Name: 5-phenylpent-1-yn-3-yl methanesulfonate Openeye Name: 1-phenethylprop-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 5-phenylpent-1-yn-3-yl ester IUPAC Name: 5-phenylpent-1-yn-3-yl methanesulfonate Traditional Name: methanesulfonic acid 1-phenethylprop-2-ynyl ester Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC1=CC=CC=C1)C#C

Isomeric SMILES

CS(=O)(=O)OC(CCC1=CC=CC=C1)C#C

InChI

InChI=1S/C12H14O3S/c1-3-12(15-16(2,13)14)10-9-11-7-5-4-6-8-11/h1,4-8,12H,9-10H2,2H3