2-(2-carboxy-4,6-dinitro-phenyl)-3,5-dinitro-benzoic acid

Systemtic Name: 2-(2-carboxy-4,6-dinitro-phenyl)-3,5-dinitro-benzoic acid Openeye Name: 2-(2-carboxy-4,6-dinitro-phenyl)-3,5-dinitro-benzoic acid CAS Name: 2-(2-carboxy-4,6-dinitrophenyl)-3,5-dinitrobenzoic acid IUPAC Name: 2-(2-carboxy-4,6-dinitrophenyl)-3,5-dinitrobenzoic acid Traditional Name: 2-(2-carboxy-4,6-dinitro-phenyl)-3,5-dinitro-benzoic acid Formula: C14H6N4O12 MolecularWeight: 422.21704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2C(=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)3-9(17(27)28)11(7)12-8(14(21)22)2-6(16(25)26)4-10(12)18(29)30/h1-4H,(H,19,20)(H,21,22)