2-[2,4,5-tris(bromanyl)-7-nitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[2,4,5-tris(bromanyl)-7-nitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(2,4,5-tribromo-3-hydroxy-7-nitro-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(2,4,5-tribromo-3-hydroxy-7-nitro-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(2,4,5-tribromo-3-hydroxy-7-nitro-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(2,4,5-tribromo-3-hydroxy-6-keto-7-nitro-xanthen-9-yl)benzoic acid Formula: C20H8Br3NO7 MolecularWeight: 613.99202

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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

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

InChI

InChI=1S/C20H8Br3NO7/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)