4-(1H-benzimidazol-2-ylsulfanyl)-3,5-dinitro-benzoic acid

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3,5-dinitro-benzoic acid Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3,5-dinitro-benzoic acid CAS Name: 4-(1H-benzimidazol-2-ylthio)-3,5-dinitrobenzoic acid IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-3,5-dinitrobenzoic acid Traditional Name: 4-(1H-benzimidazol-2-ylthio)-3,5-dinitro-benzoic acid Formula: C14H8N4O6S MolecularWeight: 360.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H8N4O6S/c19-13(20)7-5-10(17(21)22)12(11(6-7)18(23)24)25-14-15-8-3-1-2-4-9(8)16-14/h1-6H,(H,15,16)(H,19,20)