2-butan-2-yl-4,6-dinitro-phenol; 1-chloranyl-2,4-dinitro-benzene; 2,4-dinitrophenol; 2-methyl-4,6-dinitro-phenol; 3-nitro-4-oxidanyl-benzenecarbonitrile

Systemtic Name: 2-butan-2-yl-4,6-dinitro-phenol; 1-chloranyl-2,4-dinitro-benzene; 2,4-dinitrophenol; 2-methyl-4,6-dinitro-phenol; 3-nitro-4-oxidanyl-benzenecarbonitrile Openeye Name: 1-chloro-2,4-dinitro-benzene; 2,4-dinitrophenol; 2,4-dinitro-6-sec-butyl-phenol; 4-hydroxy-3-nitro-benzonitrile; 2-methyl-4,6-dinitro-phenol CAS Name: 2-butan-2-yl-4,6-dinitrophenol; 1-chloro-2,4-dinitrobenzene; 2,4-dinitrophenol; 4-hydroxy-3-nitrobenzonitrile; 2-methyl-4,6-dinitrophenol IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol; 1-chloro-2,4-dinitrobenzene; 2,4-dinitrophenol; 4-hydroxy-3-nitrobenzonitrile; 2-methyl-4,6-dinitrophenol Traditional Name: 1-chloro-2,4-dinitro-benzene; 2,4-dinitrophenol; 2,4-dinitro-6-sec-butyl-phenol; 4-hydroxy-3-nitro-benzonitrile; 2-methyl-4,6-dinitro-phenol Formula: C36H29ClN10O22 MolecularWeight: 989.12226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=C(C=C1C#N)[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].C1=CC(=C(C=C1C#N)[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C10H12N2O5.C7H6N2O5.C7H4N2O3.C6H3ClN2O4.C6H4N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;8-4-5-1-2-7(10)6(3-5)9(11)12;7-5-2-1-4(8(10)11)3-6(5)9(12)13;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h4-6,13H,3H2,1-2H3;2-3,10H,1H3;1-3,10H;1-3H;1-3,9H