[2-methyl-6-(4-methylphenyl)sulfonyloxy-5-nitro-pyrimidin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-methyl-6-(4-methylphenyl)sulfonyloxy-5-nitro-pyrimidin-4-yl] 4-methylbenzenesulfonate Openeye Name: [2-methyl-5-nitro-6-(p-tolylsulfonyloxy)pyrimidin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methyl-6-(4-methylphenyl)sulfonyloxy-5-nitro-4-pyrimidinyl] ester IUPAC Name: [2-methyl-6-(4-methylphenyl)sulfonyloxy-5-nitropyrimidin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-5-nitro-6-tosyloxy-pyrimidin-4-yl) ester Formula: C19H17N3O8S2 MolecularWeight: 479.48358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NC(=N2)C)OS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O8S2/c1-12-4-8-15(9-5-12)31(25,26)29-18-17(22(23)24)19(21-14(3)20-18)30-32(27,28)16-10-6-13(2)7-11-16/h4-11H,1-3H3