[4-[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-sulfooxy-phenyl] hydrogen sulfate

Systemtic Name: [4-[6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]-2-sulfooxy-phenyl] hydrogen sulfate Openeye Name: [4-(5,7-dihydroxy-6-methoxy-4-oxo-chromen-2-yl)-2-sulfooxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(5,7-dihydroxy-6-methoxy-4-oxo-1-benzopyran-2-yl)-2-sulfooxyphenyl] ester IUPAC Name: [4-(5,7-dihydroxy-6-methoxy-4-oxochromen-2-yl)-2-sulfooxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(5,7-dihydroxy-4-keto-6-methoxy-chromen-2-yl)-2-sulfoxy-phenyl] ester Formula: C16H12O13S2 MolecularWeight: 476.38868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

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