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ethanedioate; hexadecyl(trimethyl)azanium

ethanedioate; hexadecyl(trimethyl)azanium

Systemtic Name:ethanedioate; hexadecyl(trimethyl)azanium
Openeye Name:hexadecyl(trimethyl)ammonium; oxalate
CAS Name:hexadecyl(trimethyl)ammonium; oxalate
IUPAC Name:hexadecyl(trimethyl)azanium; oxalate
Traditional Name:cetyl(trimethyl)ammonium; oxalate
Formula: C40H84N2O4
MolecularWeight: 657.10596
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/2C19H42N.C2H2O4/c2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;3-1(4)2(5)6/h2*5-19H2,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2


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