2-oxidanyl-4-[(2,4,6-trinitrophenyl)amino]benzoic acid

Systemtic Name: 2-oxidanyl-4-[(2,4,6-trinitrophenyl)amino]benzoic acid Openeye Name: 2-hydroxy-4-(2,4,6-trinitroanilino)benzoic acid CAS Name: 2-hydroxy-4-(2,4,6-trinitroanilino)benzoic acid IUPAC Name: 2-hydroxy-4-(2,4,6-trinitroanilino)benzoic acid Traditional Name: 2-hydroxy-4-(2,4,6-trinitroanilino)benzoic acid Formula: C13H8N4O9 MolecularWeight: 364.22402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C13H8N4O9/c18-11-3-6(1-2-8(11)13(19)20)14-12-9(16(23)24)4-7(15(21)22)5-10(12)17(25)26/h1-5,14,18H,(H,19,20)