[3-ethynyl-7-(4-methylphenyl)sulfonyloxy-hept-1-yn-3-yl] ethanoate

Systemtic Name: [3-ethynyl-7-(4-methylphenyl)sulfonyloxy-hept-1-yn-3-yl] ethanoate Openeye Name: [1,1-diethynyl-5-(p-tolylsulfonyloxy)pentyl] acetate CAS Name: acetic acid [3-ethynyl-7-(4-methylphenyl)sulfonyloxyhept-1-yn-3-yl] ester IUPAC Name: [3-ethynyl-7-(4-methylphenyl)sulfonyloxyhept-1-yn-3-yl] acetate Traditional Name: acetic acid [1-ethynyl-1-(4-tosyloxybutyl)prop-2-ynyl] ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C#C)(C#C)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC(C#C)(C#C)OC(=O)C

InChI

InChI=1S/C18H20O5S/c1-5-18(6-2,23-16(4)19)13-7-8-14-22-24(20,21)17-11-9-15(3)10-12-17/h1-2,9-12H,7-8,13-14H2,3-4H3