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2,2-dimethylbutanoate; trioctyl(2-oxidanylpropyl)azanium

2,2-dimethylbutanoate; trioctyl(2-oxidanylpropyl)azanium

Systemtic Name:2,2-dimethylbutanoate; trioctyl(2-oxidanylpropyl)azanium
Openeye Name:2,2-dimethylbutanoate; 2-hydroxypropyl(trioctyl)ammonium
CAS Name:2,2-dimethylbutanoate; 2-hydroxypropyl(trioctyl)ammonium
IUPAC Name:2,2-dimethylbutanoate; 2-hydroxypropyl(trioctyl)azanium
Traditional Name:2,2-dimethylbutyrate; 2-hydroxypropyl(trioctyl)ammonium
Formula: C33H69NO3
MolecularWeight: 527.90586
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC(C)O.CCC(C)(C)C(=O)[O-]


Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CC(C)O.CCC(C)(C)C(=O)[O-]


InChI

InChI=1S/C27H58NO.C6H12O2/c1-5-8-11-14-17-20-23-28(26-27(4)29,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-4-6(2,3)5(7)8/h27,29H,5-26H2,1-4H3;4H2,1-3H3,(H,7,8)/q+1;/p-1


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