3-azanylbenzenesulfonate; tetrabutylazanium

Systemtic Name: 3-azanylbenzenesulfonate; tetrabutylazanium Openeye Name: 3-aminobenzenesulfonate; tetrabutylammonium CAS Name: 3-aminobenzenesulfonate; tetrabutylammonium IUPAC Name: 3-aminobenzenesulfonate; tetrabutylazanium Traditional Name: 3-aminobesylate; tetrabutylammonium Formula: C22H42N2O3S MolecularWeight: 414.64548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C6H7NO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-5-2-1-3-6(4-5)11(8,9)10/h5-16H2,1-4H3;1-4H,7H2,(H,8,9,10)/q+1;/p-1