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

Systemtic Name: 1-[2-[1-(1-phosphonoethyl)pyridin-1-ium-2-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[2-[1-(1-phosphonoethyl)pyridin-1-ium-2-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[2-[1-(1-phosphonoethyl)-2-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[2-[1-(1-phosphonoethyl)pyridin-1-ium-2-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[2-[1-(1-phosphonoethyl)pyridin-1-ium-2-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Formula: C14H20N2O6P2+2 MolecularWeight: 374.265922

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=CC=C1C2=CC=CC=[N+]2C(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC([N+]1=CC=CC=C1C2=CC=CC=[N+]2C(C)P(=O)(O)O)P(=O)(O)O

InChI

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