disodium 5-[3-(2-carboxylato-4-oxidanylidene-chromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: disodium 5-[3-(2-carboxylato-4-oxidanylidene-chromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: disodium 5-[3-(2-carboxylato-4-oxo-chromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: disodium 5-[3-[(2-carboxylato-4-oxo-1-benzopyran-5-yl)oxy]-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: disodium 5-[3-(2-carboxylato-4-oxochromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: disodium 5-[3-(2-carboxylato-4-keto-chromen-5-yl)oxy-1,1,2,3,3-pentadeuterio-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C23H14Na2O11 MolecularWeight: 517.361009

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])OC1=CC=CC2=C1C(=O)C=C(O2)C(=O)[O-])O)OC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C23H16O11.2Na/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30;;/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30);;/q;2*+1/p-2/i9D2,10D2,11D;;