(4-methylphenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (4-methylphenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: p-tolyl 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid p-tolyl ester Formula: C14H13NO5S MolecularWeight: 307.32172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO5S/c1-10-3-7-13(8-4-10)20-21(18,19)14-9-12(15(16)17)6-5-11(14)2/h3-9H,1-2H3