2-tert-butylphenolate; ethyl-hexadecyl-dimethyl-azanium

Systemtic Name: 2-tert-butylphenolate; ethyl-hexadecyl-dimethyl-azanium Openeye Name: 2-tert-butylphenolate; ethyl-hexadecyl-dimethyl-ammonium CAS Name: 2-tert-butylphenolate; ethyl-hexadecyl-dimethylammonium IUPAC Name: 2-tert-butylphenolate; ethyl-hexadecyl-dimethylazanium Traditional Name: 2-tert-butylphenolate; cetyl-ethyl-dimethyl-ammonium Formula: C30H57NO MolecularWeight: 447.77968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44N.C10H14O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-10(2,3)8-6-4-5-7-9(8)11/h5-20H2,1-4H3;4-7,11H,1-3H3/q+1;/p-1