2,4-dimethylbenzenesulfonate; dimethyl-octadecyl-phenyl-azanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; dimethyl-octadecyl-phenyl-azanium Openeye Name: 2,4-dimethylbenzenesulfonate; dimethyl-octadecyl-phenyl-ammonium CAS Name: 2,4-dimethylbenzenesulfonate; dimethyl-octadecyl-phenylammonium IUPAC Name: 2,4-dimethylbenzenesulfonate; dimethyl-octadecyl-phenylazanium Traditional Name: 2,4-dimethylbesylate; dimethyl-phenyl-stearyl-ammonium Formula: C34H57NO3S MolecularWeight: 559.88628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1.CC1=CC(=C(C=C1)S(=O)(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C1=CC=CC=C1.CC1=CC(=C(C=C1)S(=O)(=O)[O-])C

InChI

InChI=1S/C26H48N.C8H10O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-27(2,3)26-23-20-19-21-24-26;1-6-3-4-8(7(2)5-6)12(9,10)11/h19-21,23-24H,4-18,22,25H2,1-3H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1