[4-(5-methyl-1-octyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate

Systemtic Name: [4-(5-methyl-1-octyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-(5-methyl-1-octyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-(5-methyl-1-octyl-2-pyrrolyl)phenyl] ester IUPAC Name: [4-(5-methyl-1-octylpyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-(5-methyl-1-octyl-pyrrol-2-yl)phenyl] ester Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C28H35NO3/c1-3-4-5-6-7-11-22-29-23(2)14-20-27(29)25-16-18-26(19-17-25)31-32-28(30)21-15-24-12-9-8-10-13-24/h8-10,12-14,16-20H,3-7,11,15,21-22H2,1-2H3