[3-[(E)-dodec-2-enoyl]oxy-2-(4-methylphenyl)sulfonyloxy-propyl] docosanoate

Systemtic Name: [3-[(E)-dodec-2-enoyl]oxy-2-(4-methylphenyl)sulfonyloxy-propyl] docosanoate Openeye Name: [3-[(E)-dodec-2-enoyl]oxy-2-(p-tolylsulfonyloxy)propyl] docosanoate CAS Name: docosanoic acid [2-(4-methylphenyl)sulfonyloxy-3-[(E)-1-oxododec-2-enoxy]propyl] ester IUPAC Name: [3-[(E)-dodec-2-enoyl]oxy-2-(4-methylphenyl)sulfonyloxypropyl] docosanoate Traditional Name: behenic acid [3-[(E)-dodec-2-enoyl]oxy-2-tosyloxy-propyl] ester Formula: C44H76O7S MolecularWeight: 749.13504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C=CCCCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)/C=C/CCCCCCCCC)OS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C44H76O7S/c1-4-6-8-10-12-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-44(46)50-39-41(51-52(47,48)42-36-34-40(3)35-37-42)38-49-43(45)32-30-28-26-24-13-11-9-7-5-2/h30,32,34-37,41H,4-29,31,33,38-39H2,1-3H3/b32-30+