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

Systemtic Name: [4-(1-decyl-5-methyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-(1-decyl-5-methyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-(1-decyl-5-methyl-2-pyrrolyl)phenyl] ester IUPAC Name: [4-(1-decyl-5-methylpyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-(1-decyl-5-methyl-pyrrol-2-yl)phenyl] ester Formula: C30H39NO3 MolecularWeight: 461.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C30H39NO3/c1-3-4-5-6-7-8-9-13-24-31-25(2)16-22-29(31)27-18-20-28(21-19-27)33-34-30(32)23-17-26-14-11-10-12-15-26/h10-12,14-16,18-22H,3-9,13,17,23-24H2,1-2H3