(4-chloranyl-2-propanoyl-phenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 1,3-dimethyl-2,4-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 1,3-dimethyl-2,4-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3-dimethyl-2,4-dioxo-5-pyrimidinesulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3-dimethyl-pyrimidine-5-sulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C15H15ClN2O6S MolecularWeight: 386.8074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O6S/c1-4-11(19)10-7-9(16)5-6-12(10)24-25(22,23)13-8-17(2)15(21)18(3)14(13)20/h5-8H,4H2,1-3H3