(9E,12E)-N,N-dimethyloctadeca-9,12-dien-1-amine; octadecanoic acid

Systemtic Name: (9E,12E)-N,N-dimethyloctadeca-9,12-dien-1-amine; octadecanoic acid Openeye Name: (9E,12E)-N,N-dimethyloctadeca-9,12-dien-1-amine; stearic acid CAS Name: (9E,12E)-N,N-dimethyl-1-octadeca-9,12-dienamine; octadecanoic acid IUPAC Name: (9E,12E)-N,N-dimethyloctadeca-9,12-dien-1-amine; octadecanoic acid Traditional Name: dimethyl-[(9E,12E)-octadeca-9,12-dienyl]amine; stearic acid Formula: C38H75NO2 MolecularWeight: 578.0076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)O.CCCCCC=CCC=CCCCCCCCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)O.CCCCC/C=C/C/C=C/CCCCCCCCN(C)C

InChI

InChI=1S/C20H39N.C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8-9,11-12H,4-7,10,13-20H2,1-3H3;2-17H2,1H3,(H,19,20)/b9-8+,12-11+;