(4-methyl-3-nitro-phenyl) methanesulfonate

Systemtic Name: (4-methyl-3-nitro-phenyl) methanesulfonate Openeye Name: (4-methyl-3-nitro-phenyl) methanesulfonate CAS Name: methanesulfonic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) methanesulfonate Traditional Name: methanesulfonic acid (4-methyl-3-nitro-phenyl) ester Formula: C8H9NO5S MolecularWeight: 231.22576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO5S/c1-6-3-4-7(14-15(2,12)13)5-8(6)9(10)11/h3-5H,1-2H3