3,4-bis(chloranyl)benzoate; hexadecyl(trimethyl)azanium

Systemtic Name: 3,4-bis(chloranyl)benzoate; hexadecyl(trimethyl)azanium Openeye Name: 3,4-dichlorobenzoate; hexadecyl(trimethyl)ammonium CAS Name: 3,4-dichlorobenzoate; hexadecyl(trimethyl)ammonium IUPAC Name: 3,4-dichlorobenzoate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 3,4-dichlorobenzoate Formula: C26H45Cl2NO2 MolecularWeight: 474.547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=C(C=C1C(=O)[O-])Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.C1=CC(=C(C=C1C(=O)[O-])Cl)Cl

InChI

InChI=1S/C19H42N.C7H4Cl2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;8-5-2-1-4(7(10)11)3-6(5)9/h5-19H2,1-4H3;1-3H,(H,10,11)/q+1;/p-1