N,N-dimethyloctadecan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid

Systemtic Name: N,N-dimethyloctadecan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid Openeye Name: N,N-dimethyloctadecan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid CAS Name: N,N-dimethyl-1-octadecanamine; (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC Name: N,N-dimethyloctadecan-1-amine; (9Z,12Z)-octadeca-9,12-dienoic acid Traditional Name: dimethyl(stearyl)amine; (9Z,12Z)-octadeca-9,12-dienoic acid Formula: C56H107NO4 MolecularWeight: 858.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(C)C.CCCCCC=CCC=CCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(C)C.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C20H43N.2C18H32O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-20H2,1-3H3;2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b;2*7-6-,10-9-