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2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)azanium

2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name:2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)azanium
Openeye Name:benzyl-hexadecyl-dimethyl-ammonium; 2-tert-butylphenolate
CAS Name:2-tert-butylphenolate; hexadecyl-dimethyl-(phenylmethyl)ammonium
IUPAC Name:benzyl-hexadecyl-dimethylazanium; 2-tert-butylphenolate
Traditional Name:benzyl-cetyl-dimethyl-ammonium; 2-tert-butylphenolate
Formula: C35H59NO
MolecularWeight: 509.84906
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)(C)C1=CC=CC=C1[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.CC(C)(C)C1=CC=CC=C1[O-]


InChI

InChI=1S/C25H46N.C10H14O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;1-10(2,3)8-6-4-5-7-9(8)11/h17-19,21-22H,4-16,20,23-24H2,1-3H3;4-7,11H,1-3H3/q+1;/p-1


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