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methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide

methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide

Systemtic Name:methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide
Openeye Name:methyl-dioctadecyl-(3-sulfopropyl)ammonium hydroxide
CAS Name:methyl-dioctadecyl-(3-sulfopropyl)ammonium hydroxide
IUPAC Name:methyl-dioctadecyl-(3-sulfopropyl)azanium hydroxide
Traditional Name:methyl-distearyl-(3-sulfopropyl)ammonium hydroxide
Formula: C40H85NO4S
MolecularWeight: 676.1722
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS(=O)(=O)O.[OH-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CCCS(=O)(=O)O.[OH-]


InChI

InChI=1S/C40H83NO3S.H2O/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-41(3,39-36-40-45(42,43)44)38-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-40H2,1-3H3;1H2


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