2,6-dinitro-3-(2-nitrophenyl)sulfanyl-5-oxidanyl-benzoic acid

Systemtic Name: 2,6-dinitro-3-(2-nitrophenyl)sulfanyl-5-oxidanyl-benzoic acid Openeye Name: 3-hydroxy-2,6-dinitro-5-(2-nitrophenyl)sulfanyl-benzoic acid CAS Name: 3-hydroxy-2,6-dinitro-5-[(2-nitrophenyl)thio]benzoic acid IUPAC Name: 3-hydroxy-2,6-dinitro-5-(2-nitrophenyl)sulfanylbenzoic acid Traditional Name: 3-hydroxy-2,6-dinitro-5-[(2-nitrophenyl)thio]benzoic acid Formula: C13H7N3O9S MolecularWeight: 381.27438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2)O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])SC2=C(C(=C(C(=C2)O)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H7N3O9S/c17-7-5-9(26-8-4-2-1-3-6(8)14(20)21)12(16(24)25)10(13(18)19)11(7)15(22)23/h1-5,17H,(H,18,19)