octadecanoate; tridodecylazanium

Systemtic Name: octadecanoate; tridodecylazanium Openeye Name: octadecanoate; tridodecylammonium CAS Name: octadecanoate; tridodecylammonium IUPAC Name: octadecanoate; tridodecylazanium Traditional Name: stearate; trilaurylammonium Formula: C54H111NO2 MolecularWeight: 806.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC[NH+](CCCCCCCCCCCC)CCCCCCCCCCCC

InChI

InChI=1S/C36H75N.C18H36O2/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-36H2,1-3H3;2-17H2,1H3,(H,19,20)