3,5-dinitro-4-(4-nitro-3-oxidanyl-phenyl)sulfanyl-benzoic acid

Systemtic Name: 3,5-dinitro-4-(4-nitro-3-oxidanyl-phenyl)sulfanyl-benzoic acid Openeye Name: 4-(3-hydroxy-4-nitro-phenyl)sulfanyl-3,5-dinitro-benzoic acid CAS Name: 4-[(3-hydroxy-4-nitrophenyl)thio]-3,5-dinitrobenzoic acid IUPAC Name: 4-(3-hydroxy-4-nitrophenyl)sulfanyl-3,5-dinitrobenzoic acid Traditional Name: 4-[(3-hydroxy-4-nitro-phenyl)thio]-3,5-dinitro-benzoic acid Formula: C13H7N3O9S MolecularWeight: 381.27438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1SC2=C(C=C(C=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

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