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

Systemtic Name: disodium [6-methoxy-2-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)carbonyl-1-benzofuran-7-yl] phosphate Openeye Name: disodium [6-methoxy-2-thiazol-2-yl-3-(3,4,5-trimethoxybenzoyl)benzofuran-7-yl] phosphate CAS Name: disodium [6-methoxy-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]-2-(2-thiazolyl)-7-benzofuranyl] phosphate IUPAC Name: disodium [6-methoxy-2-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate Traditional Name: disodium [6-methoxy-2-thiazol-2-yl-3-(3,4,5-trimethoxybenzoyl)benzofuran-7-yl] phosphate Formula: C22H18NNa2O10PS MolecularWeight: 565.397321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(O2)C3=NC=CS3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(O2)C3=NC=CS3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C22H20NO10PS.2Na/c1-28-13-6-5-12-16(17(24)11-9-14(29-2)19(31-4)15(10-11)30-3)21(22-23-7-8-35-22)32-18(12)20(13)33-34(25,26)27;;/h5-10H,1-4H3,(H2,25,26,27);;/q;2*+1/p-2