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

Systemtic Name: [4-(5-methyl-1-nonyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Openeye Name: [4-(5-methyl-1-nonyl-pyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate CAS Name: 3-phenylpropaneperoxoic acid [4-(5-methyl-1-nonyl-2-pyrrolyl)phenyl] ester IUPAC Name: [4-(5-methyl-1-nonylpyrrol-2-yl)phenyl] 3-phenylpropaneperoxoate Traditional Name: 3-phenylperoxypropionic acid [4-(5-methyl-1-nonyl-pyrrol-2-yl)phenyl] ester Formula: C29H37NO3 MolecularWeight: 447.60898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCN1C(=CC=C1C2=CC=C(C=C2)OOC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C29H37NO3/c1-3-4-5-6-7-8-12-23-30-24(2)15-21-28(30)26-17-19-27(20-18-26)32-33-29(31)22-16-25-13-10-9-11-14-25/h9-11,13-15,17-21H,3-8,12,16,22-23H2,1-2H3