1-ethylpyridin-1-ium; 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: 1-ethylpyridin-1-ium; 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: 1-ethylpyridin-1-ium; 2,4,5-trichlorobenzenesulfonate CAS Name: 1-ethylpyridin-1-ium; 2,4,5-trichlorobenzenesulfonate IUPAC Name: 1-ethylpyridin-1-ium; 2,4,5-trichlorobenzenesulfonate Traditional Name: 1-ethylpyridin-1-ium; 2,4,5-trichlorobesylate Formula: C13H12Cl3NO3S MolecularWeight: 368.66328

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC=C1.C1=C(C(=CC(=C1Cl)Cl)Cl)S(=O)(=O)[O-]

InChI

InChI=1S/C7H10N.C6H3Cl3O3S/c1-2-8-6-4-3-5-7-8;7-3-1-5(9)6(2-4(3)8)13(10,11)12/h3-7H,2H2,1H3;1-2H,(H,10,11,12)/q+1;/p-1