(4-methyl-2-nitro-phenyl) 2,4,5-tris(chloranyl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 2,4,5-tris(chloranyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 2,4,5-trichlorobenzenesulfonate CAS Name: 2,4,5-trichlorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 2,4,5-trichlorobenzenesulfonate Traditional Name: 2,4,5-trichlorobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H8Cl3NO5S MolecularWeight: 396.63032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H8Cl3NO5S/c1-7-2-3-12(11(4-7)17(18)19)22-23(20,21)13-6-9(15)8(14)5-10(13)16/h2-6H,1H3