ethanoic acid; N2-octadecylpropane-1,2-diamine

Systemtic Name: ethanoic acid; N2-octadecylpropane-1,2-diamine Openeye Name: acetic acid; N2-octadecylpropane-1,2-diamine CAS Name: acetic acid; N2-octadecylpropane-1,2-diamine IUPAC Name: acetic acid; 2-N-octadecylpropane-1,2-diamine Traditional Name: acetic acid; (2-amino-1-methyl-ethyl)-stearyl-amine Formula: C27H58N2O6 MolecularWeight: 506.75922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(C)CN.CC(=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(C)CN.CC(=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C21H46N2.3C2H4O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(2)20-22;3*1-2(3)4/h21,23H,3-20,22H2,1-2H3;3*1H3,(H,3,4)