2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate; tetramethylazanium

Systemtic Name: 2-[2,4,5,7-tetrakis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate; tetramethylazanium Openeye Name: 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-xanthen-9-yl)benzoate; tetramethylammonium CAS Name: 2-(2,4,5,7-tetrabromo-3-oxido-6-oxo-9-xanthenyl)benzoate; tetramethylammonium IUPAC Name: 2-(2,4,5,7-tetrabromo-3-oxido-6-oxoxanthen-9-yl)benzoate; tetramethylazanium Traditional Name: 2-(2,4,5,7-tetrabromo-3-keto-6-oxido-xanthen-9-yl)benzoate; tetramethylammonium Formula: C28H30Br4N2O5 MolecularWeight: 794.1642

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C.C[N+](C)(C)C.C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C.C[N+](C)(C)C.C1=CC=C(C(=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)[O-])Br)Br)Br)C(=O)[O-]

InChI

InChI=1S/C20H8Br4O5.2C4H12N/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25;2*1-5(2,3)4/h1-6,25H,(H,27,28);2*1-4H3/q;2*+1/p-2