[4-[4,7-bis(bromanyl)-3-oxidanylidene-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate

Systemtic Name: [4-[4,7-bis(bromanyl)-3-oxidanylidene-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate Openeye Name: [4-[4,7-dibromo-3-oxo-1-(4-sulfooxyphenyl)isobenzofuran-1-yl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-[4,7-dibromo-3-oxo-1-(4-sulfooxyphenyl)-1-isobenzofuranyl]phenyl] ester IUPAC Name: [4-[4,7-dibromo-3-oxo-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-[4,7-dibromo-3-keto-1-(4-sulfoxyphenyl)phthalan-1-yl]phenyl] ester Formula: C20H12Br2O10S2 MolecularWeight: 636.24128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC=C(C=C4)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC=C(C=C4)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C20H12Br2O10S2/c21-15-9-10-16(22)18-17(15)19(23)30-20(18,11-1-5-13(6-2-11)31-33(24,25)26)12-3-7-14(8-4-12)32-34(27,28)29/h1-10H,(H,24,25,26)(H,27,28,29)