2,4,6-trinitrobenzene-1,3,5-tricarboxylic acid

Systemtic Name: 2,4,6-trinitrobenzene-1,3,5-tricarboxylic acid Openeye Name: 2,4,6-trinitrobenzene-1,3,5-tricarboxylic acid CAS Name: 2,4,6-trinitrobenzene-1,3,5-tricarboxylic acid IUPAC Name: 2,4,6-trinitrobenzene-1,3,5-tricarboxylic acid Traditional Name: 2,4,6-trinitrotrimesic acid Formula: C9H3N3O12 MolecularWeight: 345.13302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H3N3O12/c13-7(14)1-4(10(19)20)2(8(15)16)6(12(23)24)3(9(17)18)5(1)11(21)22/h(H,13,14)(H,15,16)(H,17,18)