N,N-dimethylhexadecan-1-amine; (E)-octadec-9-enoate

Systemtic Name: N,N-dimethylhexadecan-1-amine; (E)-octadec-9-enoate Openeye Name: N,N-dimethylhexadecan-1-amine; (E)-octadec-9-enoate CAS Name: N,N-dimethyl-1-hexadecanamine; (E)-9-octadecenoate IUPAC Name: N,N-dimethylhexadecan-1-amine; (E)-octadec-9-enoate Traditional Name: cetyl(dimethyl)amine; (E)-octadec-9-enoate Formula: C36H72NO2- MolecularWeight: 550.96238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C)C.CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C)C.CCCCCCCC/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C18H39N.C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-18H2,1-3H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/p-1/b;10-9+