nitrobenzene; 1,2,3,4,5-pentakis(chloranyl)-6-nitro-benzene

Systemtic Name: nitrobenzene; 1,2,3,4,5-pentakis(chloranyl)-6-nitro-benzene Openeye Name: nitrobenzene; 1,2,3,4,5-pentachloro-6-nitro-benzene CAS Name: nitrobenzene; 1,2,3,4,5-pentachloro-6-nitrobenzene IUPAC Name: nitrobenzene; 1,2,3,4,5-pentachloro-6-nitrobenzene Traditional Name: nitrobenzene; 1,2,3,4,5-pentachloro-6-nitro-benzene Formula: C12H5Cl5N2O4 MolecularWeight: 418.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+](=O)[O-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[N+](=O)[O-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6Cl5NO2.C6H5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9;8-7(9)6-4-2-1-3-5-6/h;1-5H