2,7-dinitro-9-oxidanylidene-xanthene-1-carboxylic acid

Systemtic Name: 2,7-dinitro-9-oxidanylidene-xanthene-1-carboxylic acid Openeye Name: 2,7-dinitro-9-oxo-xanthene-1-carboxylic acid CAS Name: 2,7-dinitro-9-oxo-1-xanthenecarboxylic acid IUPAC Name: 2,7-dinitro-9-oxoxanthene-1-carboxylic acid Traditional Name: 9-keto-2,7-dinitro-xanthene-1-carboxylic acid Formula: C14H6N2O8 MolecularWeight: 330.20604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(O2)C=CC(=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(O2)C=CC(=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H6N2O8/c17-13-7-5-6(15(20)21)1-3-9(7)24-10-4-2-8(16(22)23)11(12(10)13)14(18)19/h1-5H,(H,18,19)