(4,6-dimethoxypyrimidin-2-yl) benzenecarboperoxoate; propan-2-ylazanium

Systemtic Name: (4,6-dimethoxypyrimidin-2-yl) benzenecarboperoxoate; propan-2-ylazanium Openeye Name: (4,6-dimethoxypyrimidin-2-yl) benzenecarboperoxoate; isopropylammonium CAS Name: benzenecarboperoxoic acid (4,6-dimethoxy-2-pyrimidinyl) ester; propan-2-ylammonium IUPAC Name: (4,6-dimethoxypyrimidin-2-yl) benzenecarboperoxoate; propan-2-ylazanium Traditional Name: benzenecarboperoxoic acid (4,6-dimethoxypyrimidin-2-yl) ester; isopropylammonium Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].COC1=CC(=NC(=N1)OOC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)[NH3+].COC1=CC(=NC(=N1)OOC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C13H12N2O5.C3H9N/c1-17-10-8-11(18-2)15-13(14-10)20-19-12(16)9-6-4-3-5-7-9;1-3(2)4/h3-8H,1-2H3;3H,4H2,1-2H3/p+1