tritert-butyl 5-(4-tert-butylperoxycarbonylphenyl)carbonylcyclohexa-2,4-diene-1,1,2-tricarboperoxoate

Systemtic Name: tritert-butyl 5-(4-tert-butylperoxycarbonylphenyl)carbonylcyclohexa-2,4-diene-1,1,2-tricarboperoxoate Openeye Name: tritert-butyl 5-(4-tert-butylperoxycarbonylbenzoyl)cyclohexa-2,4-diene-1,1,2-tricarboperoxoate CAS Name: 5-[[4-[tert-butyldioxy(oxo)methyl]phenyl]-oxomethyl]cyclohexa-2,4-diene-1,1,2-tricarboperoxoic acid tritert-butyl ester IUPAC Name: tritert-butyl 5-(4-tert-butylperoxycarbonylbenzoyl)cyclohexa-2,4-diene-1,1,2-tricarboperoxoate Traditional Name: 5-(4-tert-butylperoxycarbonylbenzoyl)cyclohexa-2,4-diene-1,1,2-tricarboperoxoic acid tritert-butyl ester Formula: C33H44O13 MolecularWeight: 648.69466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44O13/c1-29(2,3)43-39-25(35)21-15-13-20(14-16-21)24(34)22-17-18-23(26(36)40-44-30(4,5)6)33(19-22,27(37)41-45-31(7,8)9)28(38)42-46-32(10,11)12/h13-18H,19H2,1-12H3