(4-methylphenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (4-methylphenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: p-tolyl 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid p-tolyl ester Formula: C13H10ClNO5S MolecularWeight: 327.7402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClNO5S/c1-9-2-4-10(5-3-9)20-21(18,19)11-6-7-12(14)13(8-11)15(16)17/h2-8H,1H3