4-(4-methylphenyl)sulfonyloxybut-2-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-(4-methylphenyl)sulfonyloxybut-2-ynyl 4-methylbenzenesulfonate Openeye Name: 4-(p-tolylsulfonyloxy)but-2-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-(4-methylphenyl)sulfonyloxybut-2-ynyl ester IUPAC Name: 4-(4-methylphenyl)sulfonyloxybut-2-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-tosyloxybut-2-ynyl ester Formula: C18H18O6S2 MolecularWeight: 394.46192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H18O6S2/c1-15-5-9-17(10-6-15)25(19,20)23-13-3-4-14-24-26(21,22)18-11-7-16(2)8-12-18/h5-12H,13-14H2,1-2H3