N-methyl-N-octadecyl-octadecan-1-amine; (E)-octadec-9-enoic acid

Systemtic Name: N-methyl-N-octadecyl-octadecan-1-amine; (E)-octadec-9-enoic acid Openeye Name: N-methyl-N-octadecyl-octadecan-1-amine; (E)-octadec-9-enoic acid CAS Name: N-methyl-N-octadecyl-1-octadecanamine; (E)-9-octadecenoic acid IUPAC Name: N-methyl-N-octadecyloctadecan-1-amine; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; methyl(distearyl)amine Formula: C55H111NO2 MolecularWeight: 818.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H77N.C18H34O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-37H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/b;10-9+