5-nitro-2-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 5-nitro-2-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid Openeye Name: 5-nitro-2-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid CAS Name: 5-nitro-2-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 5-nitro-2-(2,4,6-trinitrophenyl)benzene-1,3-dicarboxylic acid Traditional Name: 5-nitro-2-picryl-isophthalic acid Formula: C14H6N4O12 MolecularWeight: 422.21704

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(=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(=C1C(=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/C14H6N4O12/c19-13(20)7-1-5(15(23)24)2-8(14(21)22)11(7)12-9(17(27)28)3-6(16(25)26)4-10(12)18(29)30/h1-4H,(H,19,20)(H,21,22)