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

Systemtic Name: [5-oxidanyl-4-oxidanylidene-2-(3-oxidanyl-4-sulfonatooxy-phenyl)-3-sulfonatooxy-chromen-7-yl] sulfate Openeye Name: [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfonatooxy-chromen-2-yl)phenyl] sulfate CAS Name: [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfonatooxy-1-benzopyran-2-yl)phenyl] sulfate IUPAC Name: [2-hydroxy-4-(5-hydroxy-4-oxo-3,7-disulfonatooxychromen-2-yl)phenyl] sulfate Traditional Name: [2-hydroxy-4-(5-hydroxy-4-keto-3,7-disulfato-chromen-2-yl)phenyl] sulfate Formula: C15H7O16S3-3 MolecularWeight: 539.40148

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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)/p-3