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2-[dimethyl(phenyl)azaniumyl]ethyl hexadecyl phosphate hydrate

2-[dimethyl(phenyl)azaniumyl]ethyl hexadecyl phosphate hydrate

Systemtic Name:2-[dimethyl(phenyl)azaniumyl]ethyl hexadecyl phosphate hydrate
Openeye Name:2-[dimethyl(phenyl)ammonio]ethyl hexadecyl phosphate hydrate
CAS Name:2-[dimethyl(phenyl)ammonio]ethyl hexadecyl phosphate hydrate
IUPAC Name:2-[dimethyl(phenyl)azaniumyl]ethyl hexadecyl phosphate hydrate
Traditional Name:cetyl 2-[dimethyl(phenyl)ammonio]ethyl phosphate hydrate
Formula: C26H50NO5P
MolecularWeight: 487.652661
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C1=CC=CC=C1.O


Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C1=CC=CC=C1.O


InChI

InChI=1S/C26H48NO4P.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-30-32(28,29)31-25-23-27(2,3)26-21-18-17-19-22-26;/h17-19,21-22H,4-16,20,23-25H2,1-3H3;1H2


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