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

Systemtic Name: [2-methoxy-4-(5-oxidanidyl-7-oxidanyl-4-oxidanylidene-3-sulfonatooxy-chromen-2-yl)phenyl] sulfate Openeye Name: [7-hydroxy-2-(3-methoxy-4-sulfonatooxy-phenyl)-5-oxido-4-oxo-chromen-3-yl] sulfate CAS Name: [7-hydroxy-2-(3-methoxy-4-sulfonatooxyphenyl)-5-oxido-4-oxo-1-benzopyran-3-yl] sulfate IUPAC Name: [7-hydroxy-2-(3-methoxy-4-sulfonatooxyphenyl)-5-oxido-4-oxochromen-3-yl] sulfate Traditional Name: [7-hydroxy-4-keto-2-(3-methoxy-4-sulfato-phenyl)-5-oxido-chromen-3-yl] sulfate Formula: C16H9O13S2-3 MolecularWeight: 473.36486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-10(11)28-30(20,21)22)15-16(29-31(23,24)25)14(19)13-9(18)5-8(17)6-12(13)27-15/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25)/p-3