disodium [6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxyphenyl)carbonyl-1-benzofuran-7-yl] phosphate

Systemtic Name: disodium [6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxyphenyl)carbonyl-1-benzofuran-7-yl] phosphate Openeye Name: disodium [6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)benzofuran-7-yl] phosphate CAS Name: disodium [6-methoxy-2-(1-methyl-4-pyrazolyl)-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-7-benzofuranyl] phosphate IUPAC Name: disodium [6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate Traditional Name: disodium [6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)benzofuran-7-yl] phosphate Formula: C23H21N2Na2O10P MolecularWeight: 562.373541

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=C(C3=C(O2)C(=C(C=C3)OC)OP(=O)([O-])[O-])C(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Na+].[Na+]

Isomeric SMILES

CN1C=C(C=N1)C2=C(C3=C(O2)C(=C(C=C3)OC)OP(=O)([O-])[O-])C(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Na+].[Na+]

InChI

InChI=1S/C23H23N2O10P.2Na/c1-25-11-13(10-24-25)20-18(19(26)12-8-16(31-3)22(33-5)17(9-12)32-4)14-6-7-15(30-2)23(21(14)34-20)35-36(27,28)29;;/h6-11H,1-5H3,(H2,27,28,29);;/q;2*+1/p-2