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

Systemtic Name: 2-[4,5-bis(bromanyl)-2-methyl-7-nitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl]benzoic acid Openeye Name: 2-(4,5-dibromo-3-hydroxy-2-methyl-7-nitro-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(4,5-dibromo-3-hydroxy-2-methyl-7-nitro-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(4,5-dibromo-3-hydroxy-2-methyl-7-nitro-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(4,5-dibromo-3-hydroxy-6-keto-2-methyl-7-nitro-xanthen-9-yl)benzoic acid Formula: C21H11Br2NO7 MolecularWeight: 549.12254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1)C(=C3C=C(C(=O)C(=C3O2)Br)[N+](=O)[O-])C4=CC=CC=C4C(=O)O)Br)O

Isomeric SMILES

CC1=C(C(=C2C(=C1)C(=C3C=C(C(=O)C(=C3O2)Br)[N+](=O)[O-])C4=CC=CC=C4C(=O)O)Br)O

InChI

InChI=1S/C21H11Br2NO7/c1-8-6-11-14(9-4-2-3-5-10(9)21(27)28)12-7-13(24(29)30)18(26)16(23)20(12)31-19(11)15(22)17(8)25/h2-7,25H,1H3,(H,27,28)