6,7-dinitro-2-oxidanylidene-1H-quinoline-3-sulfonic acid

Systemtic Name: 6,7-dinitro-2-oxidanylidene-1H-quinoline-3-sulfonic acid Openeye Name: 6,7-dinitro-2-oxo-1H-quinoline-3-sulfonic acid CAS Name: 6,7-dinitro-2-oxo-1H-quinoline-3-sulfonic acid IUPAC Name: 6,7-dinitro-2-oxo-1H-quinoline-3-sulfonic acid Traditional Name: 2-keto-6,7-dinitro-1H-quinoline-3-sulfonic acid Formula: C9H5N3O8S MolecularWeight: 315.2163

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=O)NC2=CC(=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C(=O)NC2=CC(=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C9H5N3O8S/c13-9-8(21(18,19)20)2-4-1-6(11(14)15)7(12(16)17)3-5(4)10-9/h1-3H,(H,10,13)(H,18,19,20)