tetrakis(2-methylheptan-2-yl) 4-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoate

Systemtic Name: tetrakis(2-methylheptan-2-yl) 4-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoate Openeye Name: tetrakis(1,1-dimethylhexyl) 4-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoate CAS Name: 4-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoic acid tetrakis(2-methylheptan-2-yl) ester IUPAC Name: tetrakis(2-methylheptan-2-yl) 4-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoate Traditional Name: 4-benzoylcyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoic acid tetrakis(1,1-dimethylhexyl) ester Formula: C49H76O13 MolecularWeight: 873.11994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)OOC(C)(C)CCCCC)C(=O)OOC(C)(C)CCCCC)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)OOC(C)(C)CCCCC)C(=O)OOC(C)(C)CCCCC)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCCCC

InChI

InChI=1S/C49H76O13/c1-13-17-24-31-44(5,6)59-55-40(51)48(41(52)56-60-45(7,8)32-25-18-14-2)35-30-38(39(50)37-28-22-21-23-29-37)36-49(48,42(53)57-61-46(9,10)33-26-19-15-3)43(54)58-62-47(11,12)34-27-20-16-4/h21-23,28-30,35-36H,13-20,24-27,31-34H2,1-12H3