4-[(3,5-dinitro-4-oxidanyl-phenyl)methyl]-2,6-dinitro-phenol

Systemtic Name: 4-[(3,5-dinitro-4-oxidanyl-phenyl)methyl]-2,6-dinitro-phenol Openeye Name: 4-[(4-hydroxy-3,5-dinitro-phenyl)methyl]-2,6-dinitro-phenol CAS Name: 4-[(4-hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenol IUPAC Name: 4-[(4-hydroxy-3,5-dinitrophenyl)methyl]-2,6-dinitrophenol Traditional Name: 4-(4-hydroxy-3,5-dinitro-benzyl)-2,6-dinitro-phenol Formula: C13H8N4O10 MolecularWeight: 380.22342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O10/c18-12-8(14(20)21)2-6(3-9(12)15(22)23)1-7-4-10(16(24)25)13(19)11(5-7)17(26)27/h2-5,18-19H,1H2