aluminum 2',4',5',7'-tetrakis(bromanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

Systemtic Name: aluminum 2',4',5',7'-tetrakis(bromanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate Openeye Name: aluminum 2',4',5',7'-tetrabromo-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate CAS Name: aluminum 2',4',5',7'-tetrabromo-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate IUPAC Name: aluminum 2',4',5',7'-tetrabromo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate Traditional Name: aluminum 2',4',5',7'-tetrabromo-3-keto-spiro[phthalan-1,9'-xanthene]-3',6'-diolate Formula: C20H6AlBr4O5+ MolecularWeight: 672.856178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br.[Al+3]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br.[Al+3]

InChI

InChI=1S/C20H8Br4O5.Al/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20;/h1-6,25-26H;/q;+3/p-2