[2,5-dimethyl-5-(2-phenylbutanoylperoxy)hex-3-yn-2-yl] 2-phenylbutaneperoxoate

Systemtic Name: [2,5-dimethyl-5-(2-phenylbutanoylperoxy)hex-3-yn-2-yl] 2-phenylbutaneperoxoate Openeye Name: [1,1,4-trimethyl-4-(2-phenylbutanoylperoxy)pent-2-ynyl] 2-phenylbutaneperoxoate CAS Name: 2-phenylbutaneperoxoic acid [2,5-dimethyl-5-(1-oxo-2-phenylbutyl)dioxyhex-3-yn-2-yl] ester IUPAC Name: [2,5-dimethyl-5-(2-phenylbutanoylperoxy)hex-3-yn-2-yl] 2-phenylbutaneperoxoate Traditional Name: 2-phenylperoxybutyric acid [1,1,4-trimethyl-4-(2-phenylbutanoylperoxy)pent-2-ynyl] ester Formula: C28H34O6 MolecularWeight: 466.56596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OOC(C)(C)C#CC(C)(C)OOC(=O)C(CC)C2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OOC(C)(C)C#CC(C)(C)OOC(=O)C(CC)C2=CC=CC=C2

InChI

InChI=1S/C28H34O6/c1-7-23(21-15-11-9-12-16-21)25(29)31-33-27(3,4)19-20-28(5,6)34-32-26(30)24(8-2)22-17-13-10-14-18-22/h9-18,23-24H,7-8H2,1-6H3