sodium; 2-methylbenzenesulfonate; tetrabutylazanium

Systemtic Name: sodium; 2-methylbenzenesulfonate; tetrabutylazanium Openeye Name: sodium; 2-methylbenzenesulfonate; tetrabutylammonium CAS Name: sodium; 2-methylbenzenesulfonate; tetrabutylammonium IUPAC Name: sodium; 2-methylbenzenesulfonate; tetrabutylazanium Traditional Name: sodium; 2-methylbesylate; tetrabutylammonium Formula: C23H43NNaO3S+ MolecularWeight: 436.64719

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H36N.C7H8O3S.Na/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6-4-2-3-5-7(6)11(8,9)10;/h5-16H2,1-4H3;2-5H,1H3,(H,8,9,10);/q+1;;+1/p-1