4-methylbenzenesulfonate; trioctylazanium

Systemtic Name: 4-methylbenzenesulfonate; trioctylazanium Openeye Name: 4-methylbenzenesulfonate; trioctylammonium CAS Name: 4-methylbenzenesulfonate; trioctylammonium IUPAC Name: 4-methylbenzenesulfonate; trioctylazanium Traditional Name: trioctylammonium tosylate Formula: C31H59NO3S MolecularWeight: 525.87006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[NH+](CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C24H51N.C7H8O3S/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h4-24H2,1-3H3;2-5H,1H3,(H,8,9,10)