3-[6-[1,3-di(octadecanoyloxy)propan-2-yloxy]-6-oxidanylidene-hexyl]-6-octyl-cyclohex-4-ene-1,2-dicarboxylic acid

Systemtic Name: 3-[6-[1,3-di(octadecanoyloxy)propan-2-yloxy]-6-oxidanylidene-hexyl]-6-octyl-cyclohex-4-ene-1,2-dicarboxylic acid Openeye Name: 3-[6-[2-octadecanoyloxy-1-(octadecanoyloxymethyl)ethoxy]-6-oxo-hexyl]-6-octyl-cyclohex-4-ene-1,2-dicarboxylic acid CAS Name: 3-[6-[1,3-bis(1-oxooctadecoxy)propan-2-yloxy]-6-oxohexyl]-6-octylcyclohex-4-ene-1,2-dicarboxylic acid IUPAC Name: 3-[6-[1,3-di(octadecanoyloxy)propan-2-yloxy]-6-oxohexyl]-6-octylcyclohex-4-ene-1,2-dicarboxylic acid Traditional Name: 3-[6-keto-6-[2-stearoyloxy-1-(stearoyloxymethyl)ethoxy]hexyl]-6-octyl-cyclohex-4-ene-1,2-dicarboxylic acid Formula: C61H110O10 MolecularWeight: 1003.5201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCC1C=CC(C(C1C(=O)O)C(=O)O)CCCCCCCC

InChI

InChI=1S/C61H110O10/c1-4-7-10-13-16-18-20-22-24-26-28-30-32-35-40-45-55(62)69-50-54(51-70-56(63)46-41-36-33-31-29-27-25-23-21-19-17-14-11-8-5-2)71-57(64)47-42-37-39-44-53-49-48-52(43-38-34-15-12-9-6-3)58(60(65)66)59(53)61(67)68/h48-49,52-54,58-59H,4-47,50-51H2,1-3H3,(H,65,66)(H,67,68)