[3-(11-sulfanylundecanoyloxy)-2,2-bis(11-sulfanylundecanoyloxymethyl)propyl] 11-sulfanylundecanoate

Systemtic Name: [3-(11-sulfanylundecanoyloxy)-2,2-bis(11-sulfanylundecanoyloxymethyl)propyl] 11-sulfanylundecanoate Openeye Name: [3-(11-sulfanylundecanoyloxy)-2,2-bis(11-sulfanylundecanoyloxymethyl)propyl] 11-sulfanylundecanoate CAS Name: 11-mercaptoundecanoic acid [3-(11-mercapto-1-oxoundecoxy)-2,2-bis[(11-mercapto-1-oxoundecoxy)methyl]propyl] ester IUPAC Name: [3-(11-sulfanylundecanoyloxy)-2,2-bis(11-sulfanylundecanoyloxymethyl)propyl] 11-sulfanylundecanoate Traditional Name: 11-mercaptoundecanoic acid [3-(11-mercaptoundecanoyloxy)-2,2-bis(11-mercaptoundecanoyloxymethyl)propyl] ester Formula: C49H92O8S4 MolecularWeight: 937.50998

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCS)CCCCC(=O)OCC(COC(=O)CCCCCCCCCCS)(COC(=O)CCCCCCCCCCS)COC(=O)CCCCCCCCCCS

Isomeric SMILES

C(CCCCCS)CCCCC(=O)OCC(COC(=O)CCCCCCCCCCS)(COC(=O)CCCCCCCCCCS)COC(=O)CCCCCCCCCCS

InChI

InChI=1S/C49H92O8S4/c50-45(33-25-17-9-1-5-13-21-29-37-58)54-41-49(42-55-46(51)34-26-18-10-2-6-14-22-30-38-59,43-56-47(52)35-27-19-11-3-7-15-23-31-39-60)44-57-48(53)36-28-20-12-4-8-16-24-32-40-61/h58-61H,1-44H2