(2,6,7-trimethoxy-8-oxidanyl-9-oxidanylidene-xanthen-4-yl) hydrogen sulfate

Systemtic Name: (2,6,7-trimethoxy-8-oxidanyl-9-oxidanylidene-xanthen-4-yl) hydrogen sulfate Openeye Name: (8-hydroxy-2,6,7-trimethoxy-9-oxo-xanthen-4-yl) hydrogen sulfate CAS Name: sulfuric acid (8-hydroxy-2,6,7-trimethoxy-9-oxo-4-xanthenyl) ester IUPAC Name: (8-hydroxy-2,6,7-trimethoxy-9-oxoxanthen-4-yl) hydrogen sulfate Traditional Name: sulfuric acid (8-hydroxy-9-keto-2,6,7-trimethoxy-xanthen-4-yl) ester Formula: C16H14O10S MolecularWeight: 398.34136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OS(=O)(=O)O

Isomeric SMILES

COC1=CC(=C2C(=C1)C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OS(=O)(=O)O

InChI

InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)