18-ethoxyoctadecylazanium; 1-(2-methylphenyl)tridecane-1-sulfonate

Systemtic Name: 18-ethoxyoctadecylazanium; 1-(2-methylphenyl)tridecane-1-sulfonate Openeye Name: 18-ethoxyoctadecylammonium; 1-(o-tolyl)tridecane-1-sulfonate CAS Name: 18-ethoxyoctadecylammonium; 1-(2-methylphenyl)-1-tridecanesulfonate IUPAC Name: 18-ethoxyoctadecylazanium; 1-(2-methylphenyl)tridecane-1-sulfonate Traditional Name: 18-ethoxyoctadecylammonium; 1-(o-tolyl)tridecane-1-sulfonate Formula: C40H77NO4S MolecularWeight: 668.10868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].CCOCCCCCCCCCCCCCCCCCC[NH3+]

Isomeric SMILES

CCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-].CCOCCCCCCCCCCCCCCCCCC[NH3+]

InChI

InChI=1S/C20H43NO.C20H34O3S/c1-2-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21;1-3-4-5-6-7-8-9-10-11-12-17-20(24(21,22)23)19-16-14-13-15-18(19)2/h2-21H2,1H3;13-16,20H,3-12,17H2,1-2H3,(H,21,22,23)