[4-(6-methoxy-5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate

Systemtic Name: [4-(6-methoxy-5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate Openeye Name: [4-(5-hydroxy-6-methoxy-4-oxo-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(5-hydroxy-6-methoxy-4-oxo-7-sulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [4-(5-hydroxy-6-methoxy-4-oxo-7-sulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(5-hydroxy-4-keto-6-methoxy-7-sulfoxy-chromen-2-yl)phenyl] ester Formula: C16H12O12S2 MolecularWeight: 460.38928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H12O12S2/c1-25-16-13(28-30(22,23)24)7-12-14(15(16)18)10(17)6-11(26-12)8-2-4-9(5-3-8)27-29(19,20)21/h2-7,18H,1H3,(H,19,20,21)(H,22,23,24)