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

Systemtic Name: 3-(3-carboxy-2,4,6-trinitro-phenyl)-2,4,6-trinitro-benzoic acid Openeye Name: 3-(3-carboxy-2,4,6-trinitro-phenyl)-2,4,6-trinitro-benzoic acid CAS Name: 3-(3-carboxy-2,4,6-trinitrophenyl)-2,4,6-trinitrobenzoic acid IUPAC Name: 3-(3-carboxy-2,4,6-trinitrophenyl)-2,4,6-trinitrobenzoic acid Traditional Name: 3-(3-carboxy-2,4,6-trinitro-phenyl)-2,4,6-trinitro-benzoic acid Formula: C14H4N6O16 MolecularWeight: 512.21216

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

Isomeric SMILES

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

InChI

InChI=1S/C14H4N6O16/c21-13(22)9-5(17(29)30)1-3(15(25)26)7(11(9)19(33)34)8-4(16(27)28)2-6(18(31)32)10(14(23)24)12(8)20(35)36/h1-2H,(H,21,22)(H,23,24)