(7-oxidanyl-2-oxidanylidene-6-sulfooxy-chromen-8-yl) hydrogen sulfate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-6-sulfooxy-chromen-8-yl) hydrogen sulfate Openeye Name: (7-hydroxy-2-oxo-6-sulfooxy-chromen-8-yl) hydrogen sulfate CAS Name: sulfuric acid (7-hydroxy-2-oxo-6-sulfooxy-1-benzopyran-8-yl) ester IUPAC Name: (7-hydroxy-2-oxo-6-sulfooxychromen-8-yl) hydrogen sulfate Traditional Name: sulfuric acid (7-hydroxy-2-keto-6-sulfoxy-chromen-8-yl) ester Formula: C9H6O11S2 MolecularWeight: 354.26734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)OC2=C(C(=C(C=C21)OS(=O)(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=O)OC2=C(C(=C(C=C21)OS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C9H6O11S2/c10-6-2-1-4-3-5(19-21(12,13)14)7(11)9(8(4)18-6)20-22(15,16)17/h1-3,11H,(H,12,13,14)(H,15,16,17)