3-chloranyl-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene

Systemtic Name: 3-chloranyl-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene Openeye Name: 3-chloro-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene CAS Name: 3-chloro-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene IUPAC Name: 3-chloro-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene Traditional Name: 3-chloro-1-methyl-3,4-dinitro-6-(trifluoromethyl)cyclohexa-1,4-diene Formula: C8H6ClF3N2O4 MolecularWeight: 286.59245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(=CC1C(F)(F)F)[N+](=O)[O-])([N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(C(=CC1C(F)(F)F)[N+](=O)[O-])([N+](=O)[O-])Cl

InChI

InChI=1S/C8H6ClF3N2O4/c1-4-3-7(9,14(17)18)6(13(15)16)2-5(4)8(10,11)12/h2-3,5H,1H3