dioctadecyl 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]propanedioate

Systemtic Name: dioctadecyl 2,2-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]propanedioate Openeye Name: dioctadecyl 2,2-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]propanedioate CAS Name: 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2,2-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]propanedioate Traditional Name: 2,2-bis(3,5-ditert-butyl-4-hydroxy-benzyl)malonic acid distearyl ester Formula: C69H120O6 MolecularWeight: 1045.6875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H120O6/c1-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-74-63(72)69(53-55-49-57(65(3,4)5)61(70)58(50-55)66(6,7)8,54-56-51-59(67(9,10)11)62(71)60(52-56)68(12,13)14)64(73)75-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-2/h49-52,70-71H,15-48,53-54H2,1-14H3