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

Systemtic Name: disodium 2-[4,5-bis(bromanyl)-3-oxidanidyl-6-oxidanylidene-xanthen-9-yl]benzoate Openeye Name: disodium 2-(4,5-dibromo-3-oxido-6-oxo-xanthen-9-yl)benzoate CAS Name: disodium 2-(4,5-dibromo-3-oxido-6-oxo-9-xanthenyl)benzoate IUPAC Name: disodium 2-(4,5-dibromo-3-oxido-6-oxoxanthen-9-yl)benzoate Traditional Name: disodium 2-(4,5-dibromo-3-keto-6-oxido-xanthen-9-yl)benzoate Formula: C20H8Br2Na2O5 MolecularWeight: 534.06206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)[O-])Br)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Br)[O-])Br)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H10Br2O5.2Na/c21-16-13(23)7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22)19(12)27-18(11)16;;/h1-8,23H,(H,25,26);;/q;2*+1/p-2