(6-methyl-2-nitro-pyridin-3-yl) 4-chloranylbenzenesulfonate

Systemtic Name: (6-methyl-2-nitro-pyridin-3-yl) 4-chloranylbenzenesulfonate Openeye Name: (6-methyl-2-nitro-3-pyridyl) 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid (6-methyl-2-nitro-3-pyridinyl) ester IUPAC Name: (6-methyl-2-nitropyridin-3-yl) 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid (6-methyl-2-nitro-3-pyridyl) ester Formula: C12H9ClN2O5S MolecularWeight: 328.72826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O5S/c1-8-2-7-11(12(14-8)15(16)17)20-21(18,19)10-5-3-9(13)4-6-10/h2-7H,1H3