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2-ethylhexyl phosphate; hexadecyl(trimethyl)azanium

2-ethylhexyl phosphate; hexadecyl(trimethyl)azanium

Systemtic Name:2-ethylhexyl phosphate; hexadecyl(trimethyl)azanium
Openeye Name:2-ethylhexyl phosphate; hexadecyl(trimethyl)ammonium
CAS Name:2-ethylhexyl phosphate; hexadecyl(trimethyl)ammonium
IUPAC Name:2-ethylhexyl phosphate; hexadecyl(trimethyl)azanium
Traditional Name:cetyl(trimethyl)ammonium; 2-ethylhexyl phosphate
Formula: C46H101N2O4P
MolecularWeight: 777.278901
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCC(CC)COP(=O)([O-])[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCC(CC)COP(=O)([O-])[O-]


InChI

InChI=1S/2C19H42N.C8H19O4P/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-3-5-6-8(4-2)7-12-13(9,10)11/h2*5-19H2,1-4H3;8H,3-7H2,1-2H3,(H2,9,10,11)/q2*+1;/p-2


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