[(Z)-12-(4-methylphenyl)sulfonyloxydodec-5-en-7-ynyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-12-(4-methylphenyl)sulfonyloxydodec-5-en-7-ynyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-12-(p-tolylsulfonyloxy)dodec-5-en-7-ynyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-12-(4-methylphenyl)sulfonyloxydodec-5-en-7-ynyl] ester IUPAC Name: [(Z)-12-(4-methylphenyl)sulfonyloxydodec-5-en-7-ynyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-12-tosyloxydodec-5-en-7-ynyl] ester Formula: C26H32O6S2 MolecularWeight: 504.65868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC=CC#CCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC/C=C\C#CCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H32O6S2/c1-23-13-17-25(18-14-23)33(27,28)31-21-11-9-7-5-3-4-6-8-10-12-22-32-34(29,30)26-19-15-24(2)16-20-26/h3,5,13-20H,7-12,21-22H2,1-2H3/b5-3-