3-(2,4-dinitrophenyl)-2,4,6-trinitro-benzoic acid

Systemtic Name: 3-(2,4-dinitrophenyl)-2,4,6-trinitro-benzoic acid Openeye Name: 3-(2,4-dinitrophenyl)-2,4,6-trinitro-benzoic acid CAS Name: 3-(2,4-dinitrophenyl)-2,4,6-trinitrobenzoic acid IUPAC Name: 3-(2,4-dinitrophenyl)-2,4,6-trinitrobenzoic acid Traditional Name: 3-(2,4-dinitrophenyl)-2,4,6-trinitro-benzoic acid Formula: C13H5N5O12 MolecularWeight: 423.2051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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