4-ethoxy-2-oxidanyl-benzoate; hexadecyl(trimethyl)azanium

Systemtic Name: 4-ethoxy-2-oxidanyl-benzoate; hexadecyl(trimethyl)azanium Openeye Name: 4-ethoxy-2-hydroxy-benzoate; hexadecyl(trimethyl)ammonium CAS Name: 4-ethoxy-2-hydroxybenzoate; hexadecyl(trimethyl)ammonium IUPAC Name: 4-ethoxy-2-hydroxybenzoate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 4-ethoxy-2-hydroxy-benzoate Formula: C28H51NO4 MolecularWeight: 465.70884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCOC1=CC(=C(C=C1)C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCOC1=CC(=C(C=C1)C(=O)[O-])O

InChI

InChI=1S/C19H42N.C9H10O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-13-6-3-4-7(9(11)12)8(10)5-6/h5-19H2,1-4H3;3-5,10H,2H2,1H3,(H,11,12)/q+1;/p-1