5-chloranyl-2-(4-chloranylphenoxy)-1-methyl-pyridin-1-ium sulfate

Systemtic Name: 5-chloranyl-2-(4-chloranylphenoxy)-1-methyl-pyridin-1-ium sulfate Openeye Name: 5-chloro-2-(4-chlorophenoxy)-1-methyl-pyridin-1-ium sulfate CAS Name: 5-chloro-2-(4-chlorophenoxy)-1-methylpyridin-1-ium sulfate IUPAC Name: 5-chloro-2-(4-chlorophenoxy)-1-methylpyridin-1-ium sulfate Traditional Name: 5-chloro-2-(4-chlorophenoxy)-1-methyl-pyridin-1-ium sulfate Formula: C24H20Cl4N2O6S MolecularWeight: 606.3024

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)Cl.C[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)Cl.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)Cl.C[N+]1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)Cl.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C12H10Cl2NO.H2O4S/c2*1-15-8-10(14)4-7-12(15)16-11-5-2-9(13)3-6-11;1-5(2,3)4/h2*2-8H,1H3;(H2,1,2,3,4)/q2*+1;/p-2