11-[2,3-bis[(2-hexyl-12-oxidanyl-12-oxidanylidene-dodecanoyl)oxy]propoxycarbonyl]heptadecanoic acid

Systemtic Name: 11-[2,3-bis[(2-hexyl-12-oxidanyl-12-oxidanylidene-dodecanoyl)oxy]propoxycarbonyl]heptadecanoic acid Openeye Name: 11-[2,3-bis[(2-hexyl-12-hydroxy-12-oxo-dodecanoyl)oxy]propoxycarbonyl]heptadecanoic acid CAS Name: 11-[2,3-bis(2-hexyl-12-hydroxy-1,12-dioxododecoxy)propoxy-oxomethyl]heptadecanoic acid IUPAC Name: 11-[2,3-bis[(2-hexyl-12-hydroxy-12-oxododecanoyl)oxy]propoxycarbonyl]heptadecanoic acid Traditional Name: 11-[2,3-bis[(2-hexyl-12-hydroxy-12-keto-dodecanoyl)oxy]propoxycarbonyl]heptadecanoic acid Formula: C57H104O12 MolecularWeight: 981.42846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCC(=O)O)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCCCC(=O)O)OC(=O)C(CCCCCC)CCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC(CCCCCCCCCC(=O)O)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCCCC(=O)O)OC(=O)C(CCCCCC)CCCCCCCCCC(=O)O

InChI

InChI=1S/C57H104O12/c1-4-7-10-28-37-48(39-31-22-16-13-19-25-34-43-52(58)59)55(64)67-46-51(69-57(66)50(41-30-12-9-6-3)42-33-24-18-15-21-27-36-45-54(62)63)47-68-56(65)49(38-29-11-8-5-2)40-32-23-17-14-20-26-35-44-53(60)61/h48-51H,4-47H2,1-3H3,(H,58,59)(H,60,61)(H,62,63)