6-(3,4,5-triphenylpyrazol-1-yl)hexyl ethaneperoxoate

Systemtic Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl ethaneperoxoate Openeye Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl peroxyacetate CAS Name: ethaneperoxoic acid 6-(3,4,5-triphenyl-1-pyrazolyl)hexyl ester IUPAC Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl ethaneperoxoate Traditional Name: peracetic acid 6-(3,4,5-triphenylpyrazol-1-yl)hexyl ester Formula: C29H30N2O3 MolecularWeight: 454.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OOCCCCCCN1C(=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3/c1-23(32)34-33-22-14-3-2-13-21-31-29(26-19-11-6-12-20-26)27(24-15-7-4-8-16-24)28(30-31)25-17-9-5-10-18-25/h4-12,15-20H,2-3,13-14,21-22H2,1H3