(3-methylphenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (3-methylphenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: m-tolyl 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinesulfonic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3,6-trimethyl-pyrimidine-5-sulfonic acid m-tolyl ester Formula: C14H16N2O5S MolecularWeight: 324.35224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OS(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OS(=O)(=O)C2=C(N(C(=O)N(C2=O)C)C)C

InChI

InChI=1S/C14H16N2O5S/c1-9-6-5-7-11(8-9)21-22(19,20)12-10(2)15(3)14(18)16(4)13(12)17/h5-8H,1-4H3