2-(4,5-dinitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid

Systemtic Name: 2-(4,5-dinitro-3-oxidanyl-6-oxidanylidene-xanthen-9-yl)benzoic acid Openeye Name: 2-(3-hydroxy-4,5-dinitro-6-oxo-xanthen-9-yl)benzoic acid CAS Name: 2-(3-hydroxy-4,5-dinitro-6-oxo-9-xanthenyl)benzoic acid IUPAC Name: 2-(3-hydroxy-4,5-dinitro-6-oxoxanthen-9-yl)benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-4,5-dinitro-xanthen-9-yl)benzoic acid Formula: C20H10N2O9 MolecularWeight: 422.3014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H10N2O9/c23-13-7-5-11-15(9-3-1-2-4-10(9)20(25)26)12-6-8-14(24)17(22(29)30)19(12)31-18(11)16(13)21(27)28/h1-8,23H,(H,25,26)