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

Systemtic Name: 1-[4-[1-(1-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(1-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(1-phosphonoethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(1-phosphonoethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(1-phosphonoethyl)pyridin-1-ium-4-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=C(C=C1)C2=CC=[N+](C=C2)C(C)P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

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

InChI

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