1-chloranyl-2,3,4-trinitro-benzene; 1-chloranyl-2,3,5-trinitro-benzene; 2-chloranyl-1,3,4-trinitro-benzene

Systemtic Name: 1-chloranyl-2,3,4-trinitro-benzene; 1-chloranyl-2,3,5-trinitro-benzene; 2-chloranyl-1,3,4-trinitro-benzene Openeye Name: 1-chloro-2,3,4-trinitro-benzene; 1-chloro-2,3,5-trinitro-benzene; 2-chloro-1,3,4-trinitro-benzene CAS Name: 1-chloro-2,3,4-trinitrobenzene; 1-chloro-2,3,5-trinitrobenzene; 2-chloro-1,3,4-trinitrobenzene IUPAC Name: 1-chloro-2,3,4-trinitrobenzene; 1-chloro-2,3,5-trinitrobenzene; 2-chloro-1,3,4-trinitrobenzene Traditional Name: 1-chloro-2,3,4-trinitro-benzene; 1-chloro-2,3,5-trinitro-benzene; 2-chloro-1,3,4-trinitro-benzene Formula: C18H6Cl3N9O18 MolecularWeight: 742.64874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C6H2ClN3O6/c7-4-1-3(8(11)12)2-5(9(13)14)6(4)10(15)16;7-5-3(8(11)12)1-2-4(9(13)14)6(5)10(15)16;7-3-1-2-4(8(11)12)6(10(15)16)5(3)9(13)14/h3*1-2H