disodium 2-[4,5-bis(bromanyl)-2,7-dinitro-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate

Systemtic Name: disodium 2-[4,5-bis(bromanyl)-2,7-dinitro-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: disodium 2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: disodium 2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: disodium 2-(4,5-dibromo-2,7-dinitro-3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: disodium 2-(4,5-dibromo-3-keto-2,7-dinitro-6-oxido-xanthen-9-yl)benzoate Formula: C20H6Br2N2Na2O9 MolecularWeight: 624.05718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H8Br2N2O9.2Na/c21-14-16(25)11(23(29)30)5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(31)32)17(26)15(22)19(10)33-18(9)14;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2