5-bromanyl-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-dione

Systemtic Name: 5-bromanyl-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-dione Openeye Name: 5-bromo-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-dione CAS Name: 5-bromo-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-dione IUPAC Name: 5-bromo-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-dione Traditional Name: 5-bromo-1-(4-propoxyphenyl)sulfonyl-5H-pyrimidin-1-ium-2,4-quinone Formula: C13H14BrN2O5S+ MolecularWeight: 390.22966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC(C(=O)NC2=O)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC(C(=O)NC2=O)Br

InChI

InChI=1S/C13H13BrN2O5S/c1-2-7-21-9-3-5-10(6-4-9)22(19,20)16-8-11(14)12(17)15-13(16)18/h3-6,8,11H,2,7H2,1H3/p+1