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

Systemtic Name: [5-oxidanyl-4-oxidanylidene-2-(3-oxidanyl-4-sulfooxy-phenyl)-3-sulfooxy-chromen-7-yl] hydrogen sulfate Openeye Name: [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-hydroxy-4-(5-hydroxy-4-keto-3,7-disulfoxy-chromen-2-yl)phenyl] ester Formula: C15H10O16S3 MolecularWeight: 542.4253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C15H10O16S3/c16-8-3-6(1-2-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)