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

Systemtic Name: [5-[5,7-bis(oxidanyl)-4-oxidanylidene-3-sulfooxy-chromen-2-yl]-2-methoxy-phenyl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-2-(4-methoxy-3-sulfooxy-phenyl)-4-oxo-chromen-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-2-(4-methoxy-3-sulfooxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-2-(4-methoxy-3-sulfooxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-4-keto-2-(4-methoxy-3-sulfoxy-phenyl)chromen-3-yl] ester Formula: C16H12O13S2 MolecularWeight: 476.38868

Click to see the large picture

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

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

InChI

InChI=1S/C16H12O13S2/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)