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(10-methyl-9-octyl-octadecan-9-yl)azanium; octadecanoate

(10-methyl-9-octyl-octadecan-9-yl)azanium; octadecanoate

Systemtic Name:(10-methyl-9-octyl-octadecan-9-yl)azanium; octadecanoate
Openeye Name:(2-methyl-1,1-dioctyl-decyl)ammonium; octadecanoate
CAS Name:(10-methyl-9-octyloctadecan-9-yl)ammonium; octadecanoate
IUPAC Name:(10-methyl-9-octyloctadecan-9-yl)azanium; octadecanoate
Traditional Name:(2-methyl-1,1-dioctyl-decyl)ammonium; stearate
Formula: C45H93NO2
MolecularWeight: 680.22542
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC(C)C(CCCCCCCC)(CCCCCCCC)[NH3+]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCC(C)C(CCCCCCCC)(CCCCCCCC)[NH3+]


InChI

InChI=1S/C27H57N.C18H36O2/c1-5-8-11-14-17-20-23-26(4)27(28,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h26H,5-25,28H2,1-4H3;2-17H2,1H3,(H,19,20)


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