hept-1-yn-4-yl 4-methylbenzenesulfonate

Systemtic Name: hept-1-yn-4-yl 4-methylbenzenesulfonate Openeye Name: 1-propylbut-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid hept-1-yn-4-yl ester IUPAC Name: hept-1-yn-4-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-propylbut-3-ynyl ester Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-4-6-13(7-5-2)17-18(15,16)14-10-8-12(3)9-11-14/h1,8-11,13H,5-7H2,2-3H3