[3-[(E)-octadec-9-enoyl]oxy-2-(4-pyrrolidin-1-ylbutanoyloxy)propyl] (E)-octadec-9-enoate

Systemtic Name: [3-[(E)-octadec-9-enoyl]oxy-2-(4-pyrrolidin-1-ylbutanoyloxy)propyl] (E)-octadec-9-enoate Openeye Name: [3-[(E)-octadec-9-enoyl]oxy-2-(4-pyrrolidin-1-ylbutanoyloxy)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(E)-1-oxooctadec-9-enoxy]-2-[1-oxo-4-(1-pyrrolidinyl)butoxy]propyl] ester IUPAC Name: [3-[(E)-octadec-9-enoyl]oxy-2-(4-pyrrolidin-1-ylbutanoyloxy)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-[(E)-octadec-9-enoyl]oxy-2-(4-pyrrolidinobutanoyloxy)propyl] ester Formula: C47H85NO6 MolecularWeight: 760.1809

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCN1CCCC1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)CCCN1CCCC1)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H85NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-45(49)52-42-44(54-47(51)38-35-41-48-39-33-34-40-48)43-53-46(50)37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-43H2,1-2H3/b19-17+,20-18+