2-dodecylbenzenesulfonate; 1,1,2,2,3,3,4-heptaethoxyoctadecylazanium

Systemtic Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3,3,4-heptaethoxyoctadecylazanium Openeye Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3,3,4-heptaethoxyoctadecylammonium CAS Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3,3,4-heptaethoxyoctadecylammonium IUPAC Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3,3,4-heptaethoxyoctadecylazanium Traditional Name: 1,1,2,2,3,3,4-heptaethoxyoctadecylammonium; 2-laurylbesylate Formula: C50H97NO10S MolecularWeight: 904.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C(C([NH3+])(OCC)OCC)(OCC)OCC)(OCC)OCC)OCC.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C(C([NH3+])(OCC)OCC)(OCC)OCC)(OCC)OCC)OCC.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]

InChI

InChI=1S/C32H67NO7.C18H30O3S/c1-9-17-18-19-20-21-22-23-24-25-26-27-28-29(34-10-2)30(35-11-3,36-12-4)31(37-13-5,38-14-6)32(33,39-15-7)40-16-8;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h29H,9-28,33H2,1-8H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)