bis(2-methylheptan-2-yl) 4-[3,4-bis(2-methylheptan-2-ylperoxycarbonyl)phenyl]carbonylbenzene-1,2-dicarboperoxoate

Systemtic Name: bis(2-methylheptan-2-yl) 4-[3,4-bis(2-methylheptan-2-ylperoxycarbonyl)phenyl]carbonylbenzene-1,2-dicarboperoxoate Openeye Name: bis(1,1-dimethylhexyl) 4-[3,4-bis(1,1-dimethylhexylperoxycarbonyl)benzoyl]benzene-1,2-dicarboperoxoate CAS Name: 4-[[3,4-bis[2-methylheptan-2-yldioxy(oxo)methyl]phenyl]-oxomethyl]benzene-1,2-dicarboperoxoic acid bis(2-methylheptan-2-yl) ester IUPAC Name: bis(2-methylheptan-2-yl) 4-[3,4-bis(2-methylheptan-2-ylperoxycarbonyl)benzoyl]benzene-1,2-dicarboperoxoate Traditional Name: 4-[3,4-bis(1,1-dimethylhexylperoxycarbonyl)benzoyl]benzene-1,2-dicarboperoxoic acid bis(1,1-dimethylhexyl) ester Formula: C49H74O13 MolecularWeight: 871.10406

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C49H74O13/c1-13-17-21-29-46(5,6)59-55-42(51)37-27-25-35(33-39(37)44(53)57-61-48(9,10)31-23-19-15-3)41(50)36-26-28-38(43(52)56-60-47(7,8)30-22-18-14-2)40(34-36)45(54)58-62-49(11,12)32-24-20-16-4/h25-28,33-34H,13-24,29-32H2,1-12H3