2-dodecylbenzenesulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium

Systemtic Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium Openeye Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3-pentaethoxyoctadecylammonium CAS Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3-pentaethoxyoctadecylammonium IUPAC Name: 2-dodecylbenzenesulfonate; 1,1,2,2,3-pentaethoxyoctadecylazanium Traditional Name: 2-laurylbesylate; 1,1,2,2,3-pentaethoxyoctadecylammonium Formula: C46H89NO8S MolecularWeight: 816.26576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59NO5.C18H30O3S/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;1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h26H,7-25,29H2,1-6H3;12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)