4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxo-butanoic acid CAS Name: 4-[2,3-bis[(E)-1-oxooctadec-9-enoxy]propoxy]-4-oxobutanoic acid IUPAC Name: 4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-oxobutanoic acid Traditional Name: 4-[2,3-bis[[(E)-octadec-9-enoyl]oxy]propoxy]-4-keto-butyric acid Formula: C43H76O8 MolecularWeight: 721.05874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)CCC(=O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H76O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(46)49-37-39(38-50-42(47)36-35-40(44)45)51-43(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38H2,1-2H3,(H,44,45)/b19-17+,20-18+