6-[(2-chlorophenyl)amino]hexane-1-sulfonate; tetrabutylazanium

Systemtic Name: 6-[(2-chlorophenyl)amino]hexane-1-sulfonate; tetrabutylazanium Openeye Name: 6-(2-chloroanilino)hexane-1-sulfonate; tetrabutylammonium CAS Name: 6-(2-chloroanilino)-1-hexanesulfonate; tetrabutylammonium IUPAC Name: 6-(2-chloroanilino)hexane-1-sulfonate; tetrabutylazanium Traditional Name: 6-(2-chloroanilino)hexane-1-sulfonate; tetrabutylammonium Formula: C28H53ClN2O3S MolecularWeight: 533.25002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)NCCCCCCS(=O)(=O)[O-])Cl

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)NCCCCCCS(=O)(=O)[O-])Cl

InChI

InChI=1S/C16H36N.C12H18ClNO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;13-11-7-3-4-8-12(11)14-9-5-1-2-6-10-18(15,16)17/h5-16H2,1-4H3;3-4,7-8,14H,1-2,5-6,9-10H2,(H,15,16,17)/q+1;/p-1