[16-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-16-oxidanylidene-hexadecyl] (E)-octadec-9-enoate

Systemtic Name: [16-[(3-hexadecoxy-2-oxidanyl-propyl)-(2-hydroxyethyl)amino]-16-oxidanylidene-hexadecyl] (E)-octadec-9-enoate Openeye Name: [16-[(3-hexadecoxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-oxo-hexadecyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] ester IUPAC Name: [16-[(3-hexadecoxy-2-hydroxypropyl)-(2-hydroxyethyl)amino]-16-oxohexadecyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [16-[(3-cetyloxy-2-hydroxy-propyl)-(2-hydroxyethyl)amino]-16-keto-hexadecyl] ester Formula: C55H107NO6 MolecularWeight: 878.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(CCO)C(=O)CCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C55H107NO6/c1-3-5-7-9-11-13-15-17-19-22-26-30-34-38-42-46-55(60)62-50-44-40-36-32-28-24-20-21-25-29-33-37-41-45-54(59)56(47-48-57)51-53(58)52-61-49-43-39-35-31-27-23-18-16-14-12-10-8-6-4-2/h17,19,53,57-58H,3-16,18,20-52H2,1-2H3/b19-17+