disodium 1-ethyl-4-iodanyl-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium phosphate

Systemtic Name: disodium 1-ethyl-4-iodanyl-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium phosphate Openeye Name: disodium 1-ethyl-4-iodo-3-(3-isopropylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium phosphate CAS Name: disodium 1-ethyl-4-iodo-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium phosphate IUPAC Name: disodium 1-ethyl-4-iodo-3-(3-propan-2-ylphenyl)-5-(3-propoxyphenyl)pyridin-1-ium phosphate Traditional Name: disodium 1-ethyl-4-iodo-3-m-cumenyl-5-(3-propoxyphenyl)pyridin-1-ium phosphate Formula: C25H29INNa2O5P MolecularWeight: 627.359231

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC(=CC=C3)C(C)C)I.[O-]P(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=C(C(=C[N+](=C2)CC)C3=CC(=CC=C3)C(C)C)I.[O-]P(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C25H29INO.2Na.H3O4P/c1-5-13-28-22-12-8-11-21(15-22)24-17-27(6-2)16-23(25(24)26)20-10-7-9-19(14-20)18(3)4;;;1-5(2,3)4/h7-12,14-18H,5-6,13H2,1-4H3;;;(H3,1,2,3,4)/q3*+1;/p-3