(4-methyl-2-nitro-phenyl) 4-methoxybenzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 4-methoxybenzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C14H13NO6S MolecularWeight: 323.32112

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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO6S/c1-10-3-8-14(13(9-10)15(16)17)21-22(18,19)12-6-4-11(20-2)5-7-12/h3-9H,1-2H3