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

Systemtic Name: [4-(5-oxidanyl-4-oxidanylidene-3,7-disulfooxy-chromen-2-yl)phenyl] hydrogen sulfate Openeye Name: [4-(5-hydroxy-4-oxo-3,7-disulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(5-hydroxy-4-oxo-3,7-disulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [4-(5-hydroxy-4-oxo-3,7-disulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(5-hydroxy-4-keto-3,7-disulfoxy-chromen-2-yl)phenyl] ester Formula: C15H10O15S3 MolecularWeight: 526.4259

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10O15S3/c16-10-5-9(29-32(21,22)23)6-11-12(10)13(17)15(30-33(24,25)26)14(27-11)7-1-3-8(4-2-7)28-31(18,19)20/h1-6,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)