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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] butaneperoxoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OOC(=O)CCC

InChI

InChI=1S/C22H30N2O3/c1-3-5-6-7-8-9-11-18-16-23-22(24-17-18)19-12-14-20(15-13-19)26-27-21(25)10-4-2/h12-17H,3-11H2,1-2H3