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ethyl-hexadecyl-dimethyl-azanium; 4-(phenylmethyl)phenolate

ethyl-hexadecyl-dimethyl-azanium; 4-(phenylmethyl)phenolate

Systemtic Name:ethyl-hexadecyl-dimethyl-azanium; 4-(phenylmethyl)phenolate
Openeye Name:4-benzylphenolate; ethyl-hexadecyl-dimethyl-ammonium
CAS Name:ethyl-hexadecyl-dimethylammonium; 4-(phenylmethyl)phenolate
IUPAC Name:4-benzylphenolate; ethyl-hexadecyl-dimethylazanium
Traditional Name:4-benzylphenolate; cetyl-ethyl-dimethyl-ammonium
Formula: C33H55NO
MolecularWeight: 481.7959
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC=C(C=C1)CC2=CC=C(C=C2)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC=C(C=C1)CC2=CC=C(C=C2)[O-]


InChI

InChI=1S/C20H44N.C13H12O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h5-20H2,1-4H3;1-9,14H,10H2/q+1;/p-1


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