dodecane-1-sulfonate; ethyl(trioctyl)azanium

Systemtic Name: dodecane-1-sulfonate; ethyl(trioctyl)azanium Openeye Name: dodecane-1-sulfonate; ethyl(trioctyl)ammonium CAS Name: 1-dodecanesulfonate; ethyl(trioctyl)ammonium IUPAC Name: dodecane-1-sulfonate; ethyl(trioctyl)azanium Traditional Name: dodecane-1-sulfonate; ethyl(trioctyl)ammonium Formula: C38H81NO3S MolecularWeight: 632.11964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C26H56N.C12H26O3S/c1-5-9-12-15-18-21-24-27(8-4,25-22-19-16-13-10-6-2)26-23-20-17-14-11-7-3;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h5-26H2,1-4H3;2-12H2,1H3,(H,13,14,15)/q+1;/p-1