[(6E,10E)-16-(4-methylphenyl)sulfonyloxy-9-oxidanyl-hexadeca-6,10-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(6E,10E)-16-(4-methylphenyl)sulfonyloxy-9-oxidanyl-hexadeca-6,10-dienyl] 4-methylbenzenesulfonate Openeye Name: [(6E,10E)-9-hydroxy-16-(p-tolylsulfonyloxy)hexadeca-6,10-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6E,10E)-9-hydroxy-16-(4-methylphenyl)sulfonyloxyhexadeca-6,10-dienyl] ester IUPAC Name: [(6E,10E)-9-hydroxy-16-(4-methylphenyl)sulfonyloxyhexadeca-6,10-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6E,10E)-9-hydroxy-16-tosyloxy-hexadeca-6,10-dienyl] ester Formula: C30H42O7S2 MolecularWeight: 578.78028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC=CCC(C=CCCCCCOS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

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

InChI

InChI=1S/C30H42O7S2/c1-26-16-20-29(21-17-26)38(32,33)36-24-12-8-4-3-6-10-14-28(31)15-11-7-5-9-13-25-37-39(34,35)30-22-18-27(2)19-23-30/h6,10-11,15-23,28,31H,3-5,7-9,12-14,24-25H2,1-2H3/b10-6+,15-11+