2-(3,5-ditert-butyl-4-oxidanyl-phenyl)icosanoyl 2-[(3,5-ditert-butylphenyl)methyl]icosaneperoxoate

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)icosanoyl 2-[(3,5-ditert-butylphenyl)methyl]icosaneperoxoate Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)icosanoyl 2-[(3,5-ditert-butylphenyl)methyl]icosaneperoxoate CAS Name: 2-[(3,5-ditert-butylphenyl)methyl]eicosaneperoxoic acid [2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxoeicosyl] ester IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)icosanoyl 2-[(3,5-ditert-butylphenyl)methyl]icosaneperoxoate Traditional Name: 2-(3,5-ditert-butylbenzyl)peroxyarachidic acid 2-(3,5-ditert-butyl-4-hydroxy-phenyl)eicosanoyl ester Formula: C69H120O5 MolecularWeight: 1029.6881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(=O)OOC(=O)C(CCCCCCCCCCCCCCCCCC)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(=O)OOC(=O)C(CCCCCCCCCCCCCCCCCC)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C69H120O5/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-56(49-55-50-58(66(3,4)5)54-59(51-55)67(6,7)8)64(71)73-74-65(72)60(57-52-61(68(9,10)11)63(70)62(53-57)69(12,13)14)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2/h50-54,56,60,70H,15-49H2,1-14H3