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

Systemtic Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)benzoic acid Openeye Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)benzoic acid CAS Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)benzoic acid IUPAC Name: 2,4,6-trinitro-3-(2,4,6-trinitrophenyl)benzoic acid Traditional Name: 2,4,6-trinitro-3-picryl-benzoic acid Formula: C13H4N6O14 MolecularWeight: 468.20266

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

InChI

InChI=1S/C13H4N6O14/c20-13(21)11-8(18(30)31)3-7(17(28)29)10(12(11)19(32)33)9-5(15(24)25)1-4(14(22)23)2-6(9)16(26)27/h1-3H,(H,20,21)