hexadecyl 3,4-bis(chloranyl)benzoate; trimethylazanium

Systemtic Name: hexadecyl 3,4-bis(chloranyl)benzoate; trimethylazanium Openeye Name: hexadecyl 3,4-dichlorobenzoate; trimethylammonium CAS Name: 3,4-dichlorobenzoic acid hexadecyl ester; trimethylammonium IUPAC Name: hexadecyl 3,4-dichlorobenzoate; trimethylazanium Traditional Name: 3,4-dichlorobenzoic acid cetyl ester; trimethylammonium Formula: C26H46Cl2NO2+ MolecularWeight: 475.55494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)Cl.C[NH+](C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)Cl.C[NH+](C)C

InChI

InChI=1S/C23H36Cl2O2.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23(26)20-16-17-21(24)22(25)19-20;1-4(2)3/h16-17,19H,2-15,18H2,1H3;1-3H3/p+1