benzenesulfonate; tetrabutylazanium; tributyl(1-phosphanylbutyl)azanium

Systemtic Name: benzenesulfonate; tetrabutylazanium; tributyl(1-phosphanylbutyl)azanium Openeye Name: benzenesulfonate; tetrabutylammonium; tributyl(1-phosphanylbutyl)ammonium CAS Name: benzenesulfonate; tetrabutylammonium; tributyl(1-phosphinobutyl)ammonium IUPAC Name: benzenesulfonate; tetrabutylazanium; tributyl(1-phosphanylbutyl)azanium Traditional Name: tetrabutylammonium; tributyl(1-phosphinobutyl)ammonium; tribesylate Formula: C66H124N3O9PS3 MolecularWeight: 1230.874221

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)C(CCC)P.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)C(CCC)P.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H37NP.2C16H36N.3C6H6O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16(18)12-8-4;2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3*7-10(8,9)6-4-2-1-3-5-6/h16H,5-15,18H2,1-4H3;2*5-16H2,1-4H3;3*1-5H,(H,7,8,9)/q3*+1;;;/p-3