disodium 5-[3-(4-carboxylato-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: disodium 5-[3-(4-carboxylato-3-methoxy-phenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: disodium 5-[3-(4-carboxylato-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: disodium 5-[3-(4-carboxylato-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: disodium 5-[3-(4-carboxylato-3-methoxyphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: disodium 5-[3-(4-carboxylato-3-methoxy-phenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C21H16Na2O10 MolecularWeight: 474.32528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H18O10.2Na/c1-28-17-7-12(5-6-13(17)20(24)25)29-9-11(22)10-30-15-3-2-4-16-19(15)14(23)8-18(31-16)21(26)27;;/h2-8,11,22H,9-10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2