[4-(dimethylamino)-2-[(E)-octadec-9-enoyl]oxy-butyl] (E)-octadec-9-enoate

Systemtic Name: [4-(dimethylamino)-2-[(E)-octadec-9-enoyl]oxy-butyl] (E)-octadec-9-enoate Openeye Name: [4-(dimethylamino)-2-[(E)-octadec-9-enoyl]oxy-butyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [4-(dimethylamino)-2-[(E)-1-oxooctadec-9-enoxy]butyl] ester IUPAC Name: [4-(dimethylamino)-2-[(E)-octadec-9-enoyl]oxybutyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [4-(dimethylamino)-2-[(E)-octadec-9-enoyl]oxy-butyl] ester Formula: C42H79NO4 MolecularWeight: 662.08096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CCN(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H79NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(44)46-39-40(37-38-43(3)4)47-42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,40H,5-18,23-39H2,1-4H3/b21-19+,22-20+