(4-methyl-2-nitro-phenyl) 3,5-bis(chloranyl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 3,5-bis(chloranyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 3,5-dichlorobenzenesulfonate CAS Name: 3,5-dichlorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 3,5-dichlorobenzenesulfonate Traditional Name: 3,5-dichlorobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H9Cl2NO5S MolecularWeight: 362.18526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9Cl2NO5S/c1-8-2-3-13(12(4-8)16(17)18)21-22(19,20)11-6-9(14)5-10(15)7-11/h2-7H,1H3