5-(4-methylphenyl)sulfonyloxyhept-3-yn-2-yl 4-methylbenzenesulfonate

Systemtic Name: 5-(4-methylphenyl)sulfonyloxyhept-3-yn-2-yl 4-methylbenzenesulfonate Openeye Name: [1-methyl-4-(p-tolylsulfonyloxy)hex-2-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(4-methylphenyl)sulfonyloxyhept-3-yn-2-yl ester IUPAC Name: 5-(4-methylphenyl)sulfonyloxyhept-3-yn-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (1-methyl-4-tosyloxy-hex-2-ynyl) ester Formula: C21H24O6S2 MolecularWeight: 436.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C#CC(C)OS(=O)(=O)C1=CC=C(C=C1)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24O6S2/c1-5-19(27-29(24,25)21-14-8-17(3)9-15-21)11-10-18(4)26-28(22,23)20-12-6-16(2)7-13-20/h6-9,12-15,18-19H,5H2,1-4H3