[4-(diethylamino)-2-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate

Systemtic Name: [4-(diethylamino)-2-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate Openeye Name: [4-(diethylamino)-2-[(E)-octadec-9-enoyl]oxy-pentyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(diethylamino)-2-[(E)-1-oxooctadec-9-enoxy]pentyl] ester IUPAC Name: [4-(diethylamino)-2-[(E)-octadec-9-enoyl]oxypentyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-(diethylamino)-2-[(E)-octadec-9-enoyl]oxy-pentyl] ester Formula: C45H85NO4 MolecularWeight: 704.1607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CC(C)N(CC)CC)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC(C)N(CC)CC)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H85NO4/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-44(47)49-41-43(40-42(5)46(8-3)9-4)50-45(48)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2/h22-25,42-43H,6-21,26-41H2,1-5H3/b24-22+,25-23+