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

Systemtic Name: disodium 2-[2,4,5-tris(bromanyl)-7-nitro-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: disodium 2-(2,4,5-tribromo-7-nitro-3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: disodium 2-(2,4,5-tribromo-7-nitro-3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: disodium 2-(2,4,5-tribromo-7-nitro-3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: disodium 2-(2,4,5-tribromo-6-keto-7-nitro-3-oxido-xanthen-9-yl)benzoate Formula: C20H6Br3NNa2O7 MolecularWeight: 657.95568

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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)Br)[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)Br)[O-])Br)Br)[N+](=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H8Br3NO7.2Na/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(24(29)30)17(26)15(23)19(10)31-18(9)14(22)16(11)25;;/h1-6,25H,(H,27,28);;/q;2*+1/p-2