trimethyl(phenyl)azanium; 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: trimethyl(phenyl)azanium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: 2,4,5-trichlorobenzenesulfonate; trimethyl(phenyl)ammonium CAS Name: 2,4,5-trichlorobenzenesulfonate; trimethyl(phenyl)ammonium IUPAC Name: 2,4,5-trichlorobenzenesulfonate; trimethyl(phenyl)azanium Traditional Name: 2,4,5-trichlorobesylate; trimethyl(phenyl)ammonium Formula: C15H16Cl3NO3S MolecularWeight: 396.71644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=CC=C1.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=CC=C1.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C9H14N.C6H3Cl3O3S/c1-10(2,3)9-7-5-4-6-8-9;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h4-8H,1-3H3;1-2H,(H,10,11,12)/q+1;/p-1