2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenolate; ethyl-hexadecyl-dimethyl-azanium

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenolate; ethyl-hexadecyl-dimethyl-azanium Openeye Name: 5-chloro-2-(2,4-dichlorophenoxy)phenolate; ethyl-hexadecyl-dimethyl-ammonium CAS Name: 5-chloro-2-(2,4-dichlorophenoxy)phenolate; ethyl-hexadecyl-dimethylammonium IUPAC Name: 5-chloro-2-(2,4-dichlorophenoxy)phenolate; ethyl-hexadecyl-dimethylazanium Traditional Name: cetyl-ethyl-dimethyl-ammonium; 5-chloro-2-(2,4-dichlorophenoxy)phenolate Formula: C32H50Cl3NO2 MolecularWeight: 587.1039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC(=C(C=C1Cl)[O-])OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC.C1=CC(=C(C=C1Cl)[O-])OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H44N.C12H7Cl3O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h5-20H2,1-4H3;1-6,16H/q+1;/p-1