4-[4-[4-(4-methylphenyl)sulfonyloxybut-1-ynyl]phenyl]but-3-ynyl 4-methylbenzenesulfonate

Systemtic Name: 4-[4-[4-(4-methylphenyl)sulfonyloxybut-1-ynyl]phenyl]but-3-ynyl 4-methylbenzenesulfonate Openeye Name: 4-[4-[4-(p-tolylsulfonyloxy)but-1-ynyl]phenyl]but-3-ynyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-[4-[4-(4-methylphenyl)sulfonyloxybut-1-ynyl]phenyl]but-3-ynyl ester IUPAC Name: 4-[4-[4-(4-methylphenyl)sulfonyloxybut-1-ynyl]phenyl]but-3-ynyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 4-[4-(4-tosyloxybut-1-ynyl)phenyl]but-3-ynyl ester Formula: C28H26O6S2 MolecularWeight: 522.63244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=C(C=C2)C#CCCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC#CC2=CC=C(C=C2)C#CCCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H26O6S2/c1-23-9-17-27(18-10-23)35(29,30)33-21-5-3-7-25-13-15-26(16-14-25)8-4-6-22-34-36(31,32)28-19-11-24(2)12-20-28/h9-20H,5-6,21-22H2,1-2H3