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dioctadecyl(phenyl)azanium

dioctadecyl(phenyl)azanium

Systemtic Name:dioctadecyl(phenyl)azanium
Openeye Name:dioctadecyl(phenyl)ammonium
CAS Name:dioctadecyl(phenyl)ammonium
IUPAC Name:dioctadecyl(phenyl)azanium
Traditional Name:phenyl(distearyl)ammonium
Formula: C42H80N+
MolecularWeight: 599.0913
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C1=CC=CC=C1


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](CCCCCCCCCCCCCCCCCC)C1=CC=CC=C1


InChI

InChI=1S/C42H79N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-43(42-38-34-33-35-39-42)41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3/p+1


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