1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitronaphthalen-1-ol; 4-methyl-2,6-dinitro-phenol; 4-methyl-2-nitro-phenol

Systemtic Name: 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitronaphthalen-1-ol; 4-methyl-2,6-dinitro-phenol; 4-methyl-2-nitro-phenol Openeye Name: 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitronaphthalen-1-ol; 4-methyl-2,6-dinitro-phenol; 4-methyl-2-nitro-phenol CAS Name: 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitro-1-naphthalenol; 4-methyl-2,6-dinitrophenol; 4-methyl-2-nitrophenol IUPAC Name: 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitronaphthalen-1-ol; 4-methyl-2,6-dinitrophenol; 4-methyl-2-nitrophenol Traditional Name: 1,3-dinitrobenzene; 1,4-dinitrobenzene; 2,4-dinitro-1-naphthol; 4-methyl-2,6-dinitro-phenol; 4-methyl-2-nitro-phenol Formula: C36H27N9O21 MolecularWeight: 921.64728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)[N+](=O)[O-].CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)[N+](=O)[O-].CC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-].C1=CC=C2C(=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O5.C7H6N2O5.C7H7NO3.2C6H4N2O4/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17;1-4-2-5(8(11)12)7(10)6(3-4)9(13)14;1-5-2-3-7(9)6(4-5)8(10)11;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-5,13H;2-3,10H,1H3;2-4,9H,1H3;2*1-4H