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octadecanoate; tetra(nonyl)azanium

octadecanoate; tetra(nonyl)azanium

Systemtic Name:octadecanoate; tetra(nonyl)azanium
Openeye Name:octadecanoate; tetra(nonyl)ammonium
CAS Name:octadecanoate; tetra(nonyl)ammonium
IUPAC Name:octadecanoate; tetra(nonyl)azanium
Traditional Name:stearate; tetra(nonyl)ammonium
Formula: C54H111NO2
MolecularWeight: 806.46464
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC[N+](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC[N+](CCCCCCCCC)(CCCCCCCCC)CCCCCCCCC


InChI

InChI=1S/C36H76N.C18H36O2/c1-5-9-13-17-21-25-29-33-37(34-30-26-22-18-14-10-6-2,35-31-27-23-19-15-11-7-3)36-32-28-24-20-16-12-8-4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-36H2,1-4H3;2-17H2,1H3,(H,19,20)/q+1;/p-1


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