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

Systemtic Name: [4-(5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate Openeye Name: [4-(5-hydroxy-4-oxo-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(5-hydroxy-4-oxo-7-sulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [4-(5-hydroxy-4-oxo-7-sulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(5-hydroxy-4-keto-7-sulfoxy-chromen-2-yl)phenyl] ester Formula: C15H10O11S2 MolecularWeight: 430.3633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10O11S2/c16-11-5-10(26-28(21,22)23)6-14-15(11)12(17)7-13(24-14)8-1-3-9(4-2-8)25-27(18,19)20/h1-7,16H,(H,18,19,20)(H,21,22,23)