methyl (E)-11-[2-[(E)-11-(2-oxidanylpropanoyloxy)hexadec-9-enoyl]oxypropanoyloxy]heptadec-9-enoate

Systemtic Name: methyl (E)-11-[2-[(E)-11-(2-oxidanylpropanoyloxy)hexadec-9-enoyl]oxypropanoyloxy]heptadec-9-enoate Openeye Name: methyl (E)-11-[2-[(E)-11-(2-hydroxypropanoyloxy)hexadec-9-enoyl]oxypropanoyloxy]heptadec-9-enoate CAS Name: (E)-11-[2-[(E)-11-(2-hydroxy-1-oxopropoxy)-1-oxohexadec-9-enoxy]-1-oxopropoxy]-9-heptadecenoic acid methyl ester IUPAC Name: methyl (E)-11-[2-[(E)-11-(2-hydroxypropanoyloxy)hexadec-9-enoyl]oxypropanoyloxy]heptadec-9-enoate Traditional Name: (E)-11-[2-[(E)-11-lactoyloxyhexadec-9-enoyl]oxypropanoyloxy]heptadec-9-enoic acid methyl ester Formula: C40H70O9 MolecularWeight: 694.9784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C=CCCCCCCCC(=O)OC)OC(=O)C(C)OC(=O)CCCCCCCC=CC(CCCCC)OC(=O)C(C)O

Isomeric SMILES

CCCCCCC(/C=C/CCCCCCCC(=O)OC)OC(=O)C(C)OC(=O)CCCCCCC/C=C/C(CCCCC)OC(=O)C(C)O

InChI

InChI=1S/C40H70O9/c1-6-8-10-22-28-36(30-24-18-13-11-15-19-25-31-37(42)46-5)49-40(45)34(4)47-38(43)32-26-20-16-12-14-17-23-29-35(27-21-9-7-2)48-39(44)33(3)41/h23-24,29-30,33-36,41H,6-22,25-28,31-32H2,1-5H3/b29-23+,30-24+