4-(3,5-dinitro-2-oxidanyl-phenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid

Systemtic Name: 4-(3,5-dinitro-2-oxidanyl-phenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid Openeye Name: 4-(2-hydroxy-3,5-dinitro-phenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid CAS Name: 4-(2-hydroxy-3,5-dinitrophenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid IUPAC Name: 4-(2-hydroxy-3,5-dinitrophenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid Traditional Name: 4-(2-hydroxy-3,5-dinitro-phenyl)-2,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid Formula: C9H6N4O7S MolecularWeight: 314.23154

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)C2=C(NSN2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)C2=C(NSN2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H6N4O7S/c14-8-4(6-7(9(15)16)11-21-10-6)1-3(12(17)18)2-5(8)13(19)20/h1-2,10-11,14H,(H,15,16)