disodium [5-[5,7-bis(oxidanyl)-4-oxidanylidene-3-sulfonatooxy-chromen-2-yl]-2-methoxy-phenyl] sulfate

Systemtic Name: disodium [5-[5,7-bis(oxidanyl)-4-oxidanylidene-3-sulfonatooxy-chromen-2-yl]-2-methoxy-phenyl] sulfate Openeye Name: disodium [5,7-dihydroxy-2-(4-methoxy-3-sulfonatooxy-phenyl)-4-oxo-chromen-3-yl] sulfate CAS Name: disodium [5,7-dihydroxy-2-(4-methoxy-3-sulfonatooxyphenyl)-4-oxo-1-benzopyran-3-yl] sulfate IUPAC Name: disodium [5,7-dihydroxy-2-(4-methoxy-3-sulfonatooxyphenyl)-4-oxochromen-3-yl] sulfate Traditional Name: disodium [5,7-dihydroxy-4-keto-2-(4-methoxy-3-sulfato-phenyl)chromen-3-yl] sulfate Formula: C16H10Na2O13S2 MolecularWeight: 520.35234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12O13S2.2Na/c1-26-10-3-2-7(4-11(10)28-30(20,21)22)15-16(29-31(23,24)25)14(19)13-9(18)5-8(17)6-12(13)27-15;;/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2