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

Systemtic Name: tetrakis(2-methylpentan-2-yl) 4-(phenylcarbonyl)cyclohexa-3,5-diene-1,1,2,2-tetracarboperoxoate Openeye Name: tetrakis(1,1-dimethylbutyl) 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-methylpentan-2-yl) ester IUPAC Name: tetrakis(2-methylpentan-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-dimethylbutyl) ester Formula: C41H60O13 MolecularWeight: 760.9073

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)OOC(C)(C)CCC)C(=O)OOC(C)(C)CCC)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCC

Isomeric SMILES

CCCC(C)(C)OOC(=O)C1(C=CC(=CC1(C(=O)OOC(C)(C)CCC)C(=O)OOC(C)(C)CCC)C(=O)C2=CC=CC=C2)C(=O)OOC(C)(C)CCC

InChI

InChI=1S/C41H60O13/c1-13-23-36(5,6)51-47-32(43)40(33(44)48-52-37(7,8)24-14-2)27-22-30(31(42)29-20-18-17-19-21-29)28-41(40,34(45)49-53-38(9,10)25-15-3)35(46)50-54-39(11,12)26-16-4/h17-22,27-28H,13-16,23-26H2,1-12H3