7-phenylhept-2-ynyl methanesulfonate

Systemtic Name: 7-phenylhept-2-ynyl methanesulfonate Openeye Name: 7-phenylhept-2-ynyl methanesulfonate CAS Name: methanesulfonic acid 7-phenylhept-2-ynyl ester IUPAC Name: 7-phenylhept-2-ynyl methanesulfonate Traditional Name: methanesulfonic acid 7-phenylhept-2-ynyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC#CCCCCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)OCC#CCCCCC1=CC=CC=C1

InChI

InChI=1S/C14H18O3S/c1-18(15,16)17-13-9-4-2-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,2-3,6,10,13H2,1H3