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

Systemtic Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl 3,3-dimethylbutaneperoxoate Openeye Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl 3,3-dimethylbutaneperoxoate CAS Name: 3,3-dimethylbutaneperoxoic acid 6-(3,4,5-triphenyl-1-pyrazolyl)hexyl ester IUPAC Name: 6-(3,4,5-triphenylpyrazol-1-yl)hexyl 3,3-dimethylbutaneperoxoate Traditional Name: 3,3-dimethylperoxybutyric acid 6-(3,4,5-triphenylpyrazol-1-yl)hexyl ester Formula: C33H38N2O3 MolecularWeight: 510.66642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H38N2O3/c1-33(2,3)25-29(36)38-37-24-16-5-4-15-23-35-32(28-21-13-8-14-22-28)30(26-17-9-6-10-18-26)31(34-35)27-19-11-7-12-20-27/h6-14,17-22H,4-5,15-16,23-25H2,1-3H3