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

Systemtic Name: [4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-(5-methyl-1-tridecyl-2-pyrrolyl)phenyl] ester IUPAC Name: [4-(5-methyl-1-tridecylpyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-(5-methyl-1-tridecyl-pyrrol-2-yl)phenyl] ester Formula: C33H45NO3 MolecularWeight: 503.7153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C33H45NO3/c1-3-4-5-6-7-8-9-10-11-12-16-27-34-28(2)19-25-32(34)30-21-23-31(24-22-30)36-37-33(35)26-20-29-17-14-13-15-18-29/h13-15,17-19,21-25H,3-12,16,20,26-27H2,1-2H3