1-[3-[1-(1-phosphonoethyl)pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride

Systemtic Name: 1-[3-[1-(1-phosphonoethyl)pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Openeye Name: 1-[3-[1-(1-phosphonoethyl)pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride CAS Name: 1-[3-[1-(1-phosphonoethyl)-3-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid dichloride IUPAC Name: 1-[3-[1-(1-phosphonoethyl)pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Traditional Name: 1-[3-[1-(1-phosphonoethyl)pyridin-1-ium-3-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Formula: C14H20Cl2N2O6P2 MolecularWeight: 445.171922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O6P2.2ClH/c1-11(23(17,18)19)15-7-3-5-13(9-15)14-6-4-8-16(10-14)12(2)24(20,21)22;;/h3-12H,1-2H3,(H2-2,17,18,19,20,21,22);2*1H