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

Systemtic Name: (4-propanoylphenyl) 1,3,4-trimethyl-2,6-bis(oxidanylidene)pyrimidine-5-sulfonate Openeye Name: (4-propanoylphenyl) 1,3,4-trimethyl-2,6-dioxo-pyrimidine-5-sulfonate CAS Name: 1,3,4-trimethyl-2,6-dioxo-5-pyrimidinesulfonic acid [4-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 1,3,4-trimethyl-2,6-dioxopyrimidine-5-sulfonate Traditional Name: 2,4-diketo-1,3,6-trimethyl-pyrimidine-5-sulfonic acid (4-propionylphenyl) ester Formula: C16H18N2O6S MolecularWeight: 366.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6S/c1-5-13(19)11-6-8-12(9-7-11)24-25(22,23)14-10(2)17(3)16(21)18(4)15(14)20/h6-9H,5H2,1-4H3