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

Systemtic Name: (4-ethanoylphenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (4-acetylphenyl) 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid (4-acetylphenyl) ester Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6S/c1-9(17)10-4-6-11(7-5-10)22-23(20,21)12-8-15(2)14(19)16(3)13(12)18/h4-8H,1-3H3