3,5-dimethylbenzenesulfonate; tetrabutylphosphanium

Systemtic Name: 3,5-dimethylbenzenesulfonate; tetrabutylphosphanium Openeye Name: 3,5-dimethylbenzenesulfonate; tetrabutylphosphonium CAS Name: 3,5-dimethylbenzenesulfonate; tetrabutylphosphonium IUPAC Name: 3,5-dimethylbenzenesulfonate; tetrabutylphosphanium Traditional Name: 3,5-dimethylbesylate; tetrabutylphosphonium Formula: C24H45O3PS MolecularWeight: 444.651061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36P.C8H10O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-3-7(2)5-8(4-6)12(9,10)11/h5-16H2,1-4H3;3-5H,1-2H3,(H,9,10,11)/q+1;/p-1