4-methyl-3,5-dinitro-2-oxidanyl-benzaldehyde

Systemtic Name: 4-methyl-3,5-dinitro-2-oxidanyl-benzaldehyde Openeye Name: 2-hydroxy-4-methyl-3,5-dinitro-benzaldehyde CAS Name: 2-hydroxy-4-methyl-3,5-dinitrobenzaldehyde IUPAC Name: 2-hydroxy-4-methyl-3,5-dinitrobenzaldehyde Traditional Name: 2-hydroxy-4-methyl-3,5-dinitro-benzaldehyde Formula: C8H6N2O6 MolecularWeight: 226.14304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1[N+](=O)[O-])O)C=O)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O6/c1-4-6(9(13)14)2-5(3-11)8(12)7(4)10(15)16/h2-3,12H,1H3