2-oxidanyl-5-[4,5,6,7-tetrakis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfo-phenyl)-2-benzofuran-1-yl]benzenesulfonic acid

Systemtic Name: 2-oxidanyl-5-[4,5,6,7-tetrakis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfo-phenyl)-2-benzofuran-1-yl]benzenesulfonic acid Openeye Name: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfo-phenyl)-3-oxo-isobenzofuran-1-yl]benzenesulfonic acid CAS Name: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-1-isobenzofuranyl]benzenesulfonic acid IUPAC Name: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonic acid Traditional Name: 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfo-phenyl)-3-keto-phthalan-1-yl]besylic acid Formula: C20H10Br4O10S2 MolecularWeight: 794.0334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)