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

Systemtic Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Openeye Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride CAS Name: 1-[4-[1-(4-tert-butylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]ethylphosphonic acid dichloride IUPAC Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Traditional Name: 1-[4-[1-(4-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]ethylphosphonic acid dichloride Formula: C22H27Cl2N2O3P MolecularWeight: 469.341141

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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.[Cl-].[Cl-]

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.[Cl-].[Cl-]

InChI

InChI=1S/C22H25N2O3P.2ClH/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;2*1H