3,5-dinitro-2-(2,4,6-trinitrophenyl)benzoic acid

Systemtic Name: 3,5-dinitro-2-(2,4,6-trinitrophenyl)benzoic acid Openeye Name: 3,5-dinitro-2-(2,4,6-trinitrophenyl)benzoic acid CAS Name: 3,5-dinitro-2-(2,4,6-trinitrophenyl)benzoic acid IUPAC Name: 3,5-dinitro-2-(2,4,6-trinitrophenyl)benzoic acid Traditional Name: 3,5-dinitro-2-picryl-benzoic acid Formula: C13H5N5O12 MolecularWeight: 423.2051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H5N5O12/c19-13(20)7-1-5(14(21)22)2-8(16(25)26)11(7)12-9(17(27)28)3-6(15(23)24)4-10(12)18(29)30/h1-4H,(H,19,20)