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

Systemtic Name: 2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid Openeye Name: 2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid CAS Name: 2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid IUPAC Name: 2-(2,4,6-trinitrophenyl)benzene-1,3,5-tricarboxylic acid Traditional Name: 2-picryltrimesic acid Formula: C15H7N3O12 MolecularWeight: 421.22898

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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)C(=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)C(=O)O

InChI

InChI=1S/C15H7N3O12/c19-13(20)5-1-7(14(21)22)11(8(2-5)15(23)24)12-9(17(27)28)3-6(16(25)26)4-10(12)18(29)30/h1-4H,(H,19,20)(H,21,22)(H,23,24)