[2-(3,4-disulfooxyphenyl)-4-oxidanylidene-3,5-disulfooxy-chromen-7-yl] hydrogen sulfate

Systemtic Name: [2-(3,4-disulfooxyphenyl)-4-oxidanylidene-3,5-disulfooxy-chromen-7-yl] hydrogen sulfate Openeye Name: [2-(3,4-disulfooxyphenyl)-4-oxo-3,5-disulfooxy-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,4-disulfooxyphenyl)-4-oxo-3,5-disulfooxy-1-benzopyran-7-yl] ester IUPAC Name: [2-(3,4-disulfooxyphenyl)-4-oxo-3,5-disulfooxychromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,4-disulfoxyphenyl)-4-keto-3,5-disulfoxy-chromen-7-yl] ester Formula: C15H10O22S5 MolecularWeight: 702.5517

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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)OS(=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)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C15H10O22S5/c16-13-12-10(4-7(33-38(17,18)19)5-11(12)36-41(26,27)28)32-14(15(13)37-42(29,30)31)6-1-2-8(34-39(20,21)22)9(3-6)35-40(23,24)25/h1-5H,(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)