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

Systemtic Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Openeye Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid CAS Name: 1-[4-[1-(4-tert-butylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid IUPAC Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Traditional Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid Formula: C22H27N2O3P+2 MolecularWeight: 398.435141

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)C(C)(C)C)P(=O)(O)O

Isomeric SMILES

CC([N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C3=CC=C(C=C3)C(C)(C)C)P(=O)(O)O

InChI

InChI=1S/C22H25N2O3P/c1-17(28(25,26)27)23-13-9-18(10-14-23)19-11-15-24(16-12-19)21-7-5-20(6-8-21)22(2,3)4/h5-17H,1-4H3/p+2