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

Systemtic Name: ditriacontyl 2,2-bis[(5-tert-butyl-2,3-dimethyl-4-oxidanyl-phenyl)methyl]propanedioate Openeye Name: ditriacontyl 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 ditriacontyl ester IUPAC Name: ditriacontyl 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 dimelissyl ester Formula: C89H160O6 MolecularWeight: 1326.2191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=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)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H160O6/c1-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-94-85(92)89(73-79-71-81(87(7,8)9)83(90)77(5)75(79)3,74-80-72-82(88(10,11)12)84(91)78(6)76(80)4)86(93)95-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-2/h71-72,90-91H,13-70,73-74H2,1-12H3