(9E,28E)-N,N-dioctadecylheptatriaconta-9,28-dien-19-amine; (E)-octadec-9-enoic acid

Systemtic Name: (9E,28E)-N,N-dioctadecylheptatriaconta-9,28-dien-19-amine; (E)-octadec-9-enoic acid Openeye Name: (9E,28E)-N,N-dioctadecylheptatriaconta-9,28-dien-19-amine; (E)-octadec-9-enoic acid CAS Name: (9E,28E)-N,N-dioctadecyl-19-heptatriaconta-9,28-dienamine; (E)-9-octadecenoic acid IUPAC Name: (9E,28E)-N,N-dioctadecylheptatriaconta-9,28-dien-19-amine; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; [(E)-1-[(E)-octadec-9-enyl]nonadec-10-enyl]-distearyl-amine Formula: C91H179NO2 MolecularWeight: 1319.40046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C(CCCCCCCC/C=C/CCCCCCCC)CCCCCCCC/C=C/CCCCCCCC)CCCCCCCCCCCCCCCCCC.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C73H145N.C18H34O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)74(71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h33-34,37-38,73H,5-32,35-36,39-72H2,1-4H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b37-33+,38-34+;10-9+