disodium [2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-5-ethanoyl-6-methyl-benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-5-ethanoyl-6-methyl-benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [5-acetyl-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-6-methyl-benzimidazol-1-yl]methyl phosphate CAS Name: disodium [5-acetyl-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-6-methyl-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [5-acetyl-2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-6-methylbenzimidazol-1-yl]methyl phosphate Traditional Name: disodium [5-acetyl-2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-6-methyl-benzimidazol-1-yl]methyl phosphate Formula: C19H20N3Na2O8PS MolecularWeight: 527.395701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C)N=C(N2COP(=O)([O-])[O-])S(=O)CC3=NC=CC(=C3OC)OC.[Na+].[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C)N=C(N2COP(=O)([O-])[O-])S(=O)CC3=NC=CC(=C3OC)OC.[Na+].[Na+]

InChI

InChI=1S/C19H22N3O8PS.2Na/c1-11-7-16-14(8-13(11)12(2)23)21-19(22(16)10-30-31(24,25)26)32(27)9-15-18(29-4)17(28-3)5-6-20-15;;/h5-8H,9-10H2,1-4H3,(H2,24,25,26);;/q;2*+1/p-2