1-(2,3-dinitrophenoxy)-2,3-dinitro-benzene; 2-iodanyl-3-methyl-5-nitro-6-propan-2-yl-phenol

Systemtic Name: 1-(2,3-dinitrophenoxy)-2,3-dinitro-benzene; 2-iodanyl-3-methyl-5-nitro-6-propan-2-yl-phenol Openeye Name: 1-(2,3-dinitrophenoxy)-2,3-dinitro-benzene; 2-iodo-6-isopropyl-3-methyl-5-nitro-phenol CAS Name: 1-(2,3-dinitrophenoxy)-2,3-dinitrobenzene; 2-iodo-3-methyl-5-nitro-6-propan-2-ylphenol IUPAC Name: 1-(2,3-dinitrophenoxy)-2,3-dinitrobenzene; 2-iodo-3-methyl-5-nitro-6-propan-2-ylphenol Traditional Name: 1-(2,3-dinitrophenoxy)-2,3-dinitro-benzene; 2-iodo-6-isopropyl-3-methyl-5-nitro-phenol Formula: C22H18IN5O12 MolecularWeight: 671.30909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1I)O)C(C)C)[N+](=O)[O-].C1=CC(=C(C(=C1)OC2=CC=CC(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1I)O)C(C)C)[N+](=O)[O-].C1=CC(=C(C(=C1)OC2=CC=CC(=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H6N4O9.C10H12INO3/c17-13(18)7-3-1-5-9(11(7)15(21)22)25-10-6-2-4-8(14(19)20)12(10)16(23)24;1-5(2)8-7(12(14)15)4-6(3)9(11)10(8)13/h1-6H;4-5,13H,1-3H3