[2-(3,4-disulfonatooxyphenyl)-5-oxidanyl-4-oxidanylidene-3-sulfonatooxy-chromen-7-yl] sulfate

Systemtic Name: [2-(3,4-disulfonatooxyphenyl)-5-oxidanyl-4-oxidanylidene-3-sulfonatooxy-chromen-7-yl] sulfate Openeye Name: [2-(3,4-disulfonatooxyphenyl)-5-hydroxy-4-oxo-3-sulfonatooxy-chromen-7-yl] sulfate CAS Name: [2-(3,4-disulfonatooxyphenyl)-5-hydroxy-4-oxo-3-sulfonatooxy-1-benzopyran-7-yl] sulfate IUPAC Name: [2-(3,4-disulfonatooxyphenyl)-5-hydroxy-4-oxo-3-sulfonatooxychromen-7-yl] sulfate Traditional Name: [2-(3,4-disulfatophenyl)-5-hydroxy-4-keto-3-sulfato-chromen-7-yl] sulfate Formula: C15H6O19S4-4 MolecularWeight: 618.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-]

InChI

InChI=1S/C15H10O19S4/c16-8-4-7(31-35(18,19)20)5-11-12(8)13(17)15(34-38(27,28)29)14(30-11)6-1-2-9(32-36(21,22)23)10(3-6)33-37(24,25)26/h1-5,16H,(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)/p-4