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

Systemtic Name: trimethyl(phenyl)azanium; 2,4,5-tris(chloranyl)benzenesulfonic acid Openeye Name: 2,4,5-trichlorobenzenesulfonic acid; trimethyl(phenyl)ammonium CAS Name: 2,4,5-trichlorobenzenesulfonic acid; trimethyl(phenyl)ammonium IUPAC Name: 2,4,5-trichlorobenzenesulfonic acid; trimethyl(phenyl)azanium Traditional Name: 2,4,5-trichlorobesylic acid; trimethyl(phenyl)ammonium Formula: C15H17Cl3NO3S+ MolecularWeight: 397.72438

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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;