2-methyl-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propanoic acid

Systemtic Name: 2-methyl-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propanoic acid Openeye Name: 2-methyl-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propanoic acid CAS Name: 2-methyl-3-[(E)-1-oxooctadec-9-enoxy]-2-[[(E)-1-oxooctadec-9-enoxy]methyl]propanoic acid IUPAC Name: 2-methyl-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propanoic acid Traditional Name: 2-methyl-3-[(E)-octadec-9-enoyl]oxy-2-[[(E)-octadec-9-enoyl]oxymethyl]propionic acid Formula: C41H74O6 MolecularWeight: 663.02266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)(COC(=O)CCCCCCCC=CCCCCCCCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C41H74O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38(42)46-36-41(3,40(44)45)37-47-39(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21H,4-17,22-37H2,1-3H3,(H,44,45)/b20-18+,21-19+