1-(2-methylphenyl)tridecane-1-sulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium

Systemtic Name: 1-(2-methylphenyl)tridecane-1-sulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium Openeye Name: 1-(o-tolyl)tridecane-1-sulfonate; 1,1,2,2,3-pentaethoxyoctadecylammonium CAS Name: 1-(2-methylphenyl)-1-tridecanesulfonate; 1,1,2,2,3-pentaethoxyoctadecylammonium IUPAC Name: 1-(2-methylphenyl)tridecane-1-sulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium Traditional Name: 1-(o-tolyl)tridecane-1-sulfonate; 1,1,2,2,3-pentaethoxyoctadecylammonium Formula: C48H93NO8S MolecularWeight: 844.31892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CCCCCCCCCCCCC(C1=CC=CC=C1C)S(=O)(=O)[O-]

InChI

InChI=1S/C28H59NO5.C20H34O3S/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26(30-8-2)27(31-9-3,32-10-4)28(29,33-11-5)34-12-6;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/h26H,7-25,29H2,1-6H3;13-16,20H,3-12,17H2,1-2H3,(H,21,22,23)