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

Systemtic Name: tetrakis(2-methylheptan-2-yl) 5-(phenylcarbonyl)benzene-1,2,3,4-tetracarboperoxoate Openeye Name: tetrakis(1,1-dimethylhexyl) 5-benzoylbenzene-1,2,3,4-tetracarboperoxoate CAS Name: 5-benzoylbenzene-1,2,3,4-tetracarboperoxoic acid tetrakis(2-methylheptan-2-yl) ester IUPAC Name: tetrakis(2-methylheptan-2-yl) 5-benzoylbenzene-1,2,3,4-tetracarboperoxoate Traditional Name: 5-benzoylbenzene-1,2,3,4-tetracarboperoxoic acid tetrakis(1,1-dimethylhexyl) ester Formula: C49H74O13 MolecularWeight: 871.10406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H74O13/c1-13-17-24-30-46(5,6)59-55-42(51)37-34-36(41(50)35-28-22-21-23-29-35)38(43(52)56-60-47(7,8)31-25-18-14-2)40(45(54)58-62-49(11,12)33-27-20-16-4)39(37)44(53)57-61-48(9,10)32-26-19-15-3/h21-23,28-29,34H,13-20,24-27,30-33H2,1-12H3