diicosyl 2,2-bis[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]propanedioate

Systemtic Name: diicosyl 2,2-bis[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]propanedioate Openeye Name: diicosyl 2,2-bis[(5-tert-butyl-4-hydroxy-2,3-dimethyl-phenyl)methyl]propanedioate CAS Name: 2,2-bis[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]propanedioic acid dieicosyl ester IUPAC Name: diicosyl 2,2-bis[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]propanedioate Traditional Name: 2,2-bis(5-tert-butyl-4-hydroxy-2,3-dimethyl-benzyl)malonic acid diarachyl ester Formula: C69H120O6 MolecularWeight: 1045.6875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2C)C)O)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1C)C)O)C(C)(C)C)(CC2=CC(=C(C(=C2C)C)O)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H120O6/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-74-65(72)69(53-59-51-61(67(7,8)9)63(70)57(5)55(59)3,54-60-52-62(68(10,11)12)64(71)58(6)56(60)4)66(73)75-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h51-52,70-71H,13-50,53-54H2,1-12H3