hexadecylazanium; 4-methylbenzenesulfonate; tetrabutylphosphanium

Systemtic Name: hexadecylazanium; 4-methylbenzenesulfonate; tetrabutylphosphanium Openeye Name: hexadecylammonium; 4-methylbenzenesulfonate; tetrabutylphosphonium CAS Name: hexadecylammonium; 4-methylbenzenesulfonate; tetrabutylphosphonium IUPAC Name: hexadecylazanium; 4-methylbenzenesulfonate; tetrabutylphosphanium Traditional Name: cetylammonium; tetrabutylphosphonium; tosylate Formula: C39H79NO3PS+ MolecularWeight: 673.088221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH3+].CCCC[P+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH3+].CCCC[P+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H35N.C16H36P.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-2-4-7(5-3-6)11(8,9)10/h2-17H2,1H3;5-16H2,1-4H3;2-5H,1H3,(H,8,9,10)/q;+1;