2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride

Systemtic Name: 2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Openeye Name: 2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride CAS Name: 2-[4-[1-(2-phosphonoethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid dichloride IUPAC Name: 2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Traditional Name: 2-[4-[1-(2-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Formula: C14H20Cl2N2O6P2 MolecularWeight: 445.171922

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCP(=O)(O)O)CCP(=O)(O)O.[Cl-].[Cl-]

Isomeric SMILES

C1=C[N+](=CC=C1C2=CC=[N+](C=C2)CCP(=O)(O)O)CCP(=O)(O)O.[Cl-].[Cl-]

InChI

InChI=1S/C14H18N2O6P2.2ClH/c17-23(18,19)11-9-15-5-1-13(2-6-15)14-3-7-16(8-4-14)10-12-24(20,21)22;;/h1-8H,9-12H2,(H2-2,17,18,19,20,21,22);2*1H