[(E)-16-(4-methylphenyl)sulfonyloxyhexadec-9-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E)-16-(4-methylphenyl)sulfonyloxyhexadec-9-enyl] 4-methylbenzenesulfonate Openeye Name: [(E)-16-(p-tolylsulfonyloxy)hexadec-9-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E)-16-(4-methylphenyl)sulfonyloxyhexadec-9-enyl] ester IUPAC Name: [(E)-16-(4-methylphenyl)sulfonyloxyhexadec-9-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E)-16-tosyloxyhexadec-9-enyl] ester Formula: C30H44O6S2 MolecularWeight: 564.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC=CCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC/C=C/CCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C30H44O6S2/c1-27-17-21-29(22-18-27)37(31,32)35-25-15-13-11-9-7-5-3-4-6-8-10-12-14-16-26-36-38(33,34)30-23-19-28(2)20-24-30/h3,5,17-24H,4,6-16,25-26H2,1-2H3/b5-3+