2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol

Systemtic Name: 2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol Openeye Name: 2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol CAS Name: 2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol IUPAC Name: 2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol Traditional Name: 2,3-dinitrophenol; 2,4-dinitrophenol; 2,5-dinitrophenol; 2,6-dinitrophenol; 3,5-dinitrophenol Formula: C30H20N10O25 MolecularWeight: 920.5318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/5C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;9-6-2-1-4(7(10)11)3-5(6)8(12)13;9-6-3-4(7(10)11)1-2-5(6)8(12)13;9-5-3-1-2-4(7(10)11)6(5)8(12)13;9-6-4(7(10)11)2-1-3-5(6)8(12)13/h5*1-3,9H