[4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-methyl-pentan-2-yl]peroxy-4-methyl-pentan-2-yl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxy-2-methyl-pentan-2-yl]peroxy-4-methyl-pentan-2-yl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [3-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-1,1-dimethyl-butyl]peroxy-1,3-dimethyl-butyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [4-[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]-2-methylpentan-2-yl]dioxy-4-methylpentan-2-yl] ester IUPAC Name: [4-[4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxy-2-methylpentan-2-yl]peroxy-4-methylpentan-2-yl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [3-[3-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxy-1,1-dimethyl-butyl]peroxy-1,3-dimethyl-butyl] ester Formula: C42H66O8 MolecularWeight: 698.96864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H66O8/c1-25(47-35(45)27-19-29(37(3,4)5)33(43)30(20-27)38(6,7)8)23-41(15,16)49-50-42(17,18)24-26(2)48-36(46)28-21-31(39(9,10)11)34(44)32(22-28)40(12,13)14/h19-22,25-26,43-44H,23-24H2,1-18H3