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

Systemtic Name: (2-methylphenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: o-tolyl 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid o-tolyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C

Isomeric SMILES

CC1=CC=CC=C1OS(=O)(=O)C2=CN(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H14N2O5S/c1-9-6-4-5-7-10(9)20-21(18,19)11-8-14(2)13(17)15(3)12(11)16/h4-8H,1-3H3