(4-chloranyl-2,6-dimethyl-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-chloranyl-2,6-dimethyl-phenyl) 4-nitrobenzenesulfonate Openeye Name: (4-chloro-2,6-dimethyl-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-chloro-2,6-dimethylphenyl) ester IUPAC Name: (4-chloro-2,6-dimethylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-chloro-2,6-dimethyl-phenyl) ester Formula: C14H12ClNO5S MolecularWeight: 341.76678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C14H12ClNO5S/c1-9-7-11(15)8-10(2)14(9)21-22(19,20)13-5-3-12(4-6-13)16(17)18/h3-8H,1-2H3