disodium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-phenoxy-pyridin-1-ium phosphate

Systemtic Name: disodium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-phenoxy-pyridin-1-ium phosphate Openeye Name: disodium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-phenoxy-pyridin-1-ium phosphate CAS Name: disodium 3-(3-chlorophenyl)-1-ethyl-4-(methylthio)-5-phenoxypyridin-1-ium phosphate IUPAC Name: disodium 3-(3-chlorophenyl)-1-ethyl-4-methylsulfanyl-5-phenoxypyridin-1-ium phosphate Traditional Name: disodium 3-(3-chlorophenyl)-1-ethyl-4-(methylthio)-5-phenoxy-pyridin-1-ium phosphate Formula: C20H19ClNNa2O5PS MolecularWeight: 497.839861

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Cl)SC)OC3=CC=CC=C3.[O-]P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC[N+]1=CC(=C(C(=C1)C2=CC(=CC=C2)Cl)SC)OC3=CC=CC=C3.[O-]P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C20H19ClNOS.2Na.H3O4P/c1-3-22-13-18(15-8-7-9-16(21)12-15)20(24-2)19(14-22)23-17-10-5-4-6-11-17;;;1-5(2,3)4/h4-14H,3H2,1-2H3;;;(H3,1,2,3,4)/q3*+1;/p-3