didodecyl(dimethyl)azanium; 4-methylbenzenesulfonic acid

Systemtic Name: didodecyl(dimethyl)azanium; 4-methylbenzenesulfonic acid Openeye Name: didodecyl(dimethyl)ammonium; 4-methylbenzenesulfonic acid CAS Name: didodecyl(dimethyl)ammonium; 4-methylbenzenesulfonic acid IUPAC Name: didodecyl(dimethyl)azanium; 4-methylbenzenesulfonic acid Traditional Name: dilauryl(dimethyl)ammonium; tosylic acid Formula: C33H64NO3S+ MolecularWeight: 554.93116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H56N.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-26H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;