[4-(5-hexylpyrimidin-2-yl)phenyl] butaneperoxoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] butaneperoxoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

InChI

InChI=1S/C20H26N2O3/c1-3-5-6-7-9-16-14-21-20(22-15-16)17-10-12-18(13-11-17)24-25-19(23)8-4-2/h10-15H,3-9H2,1-2H3