dioctadecyl 2-[[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]methyl]propanedioate

Systemtic Name: dioctadecyl 2-[[2,3-dimethyl-5-(2-methylheptan-2-yl)-4-oxidanyl-phenyl]methyl]propanedioate Openeye Name: dioctadecyl 2-[[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-phenyl]methyl]propanedioate CAS Name: 2-[[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]methyl]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2-[[4-hydroxy-2,3-dimethyl-5-(2-methylheptan-2-yl)phenyl]methyl]propanedioate Traditional Name: 2-[5-(1,1-dimethylhexyl)-4-hydroxy-2,3-dimethyl-benzyl]malonic acid distearyl ester Formula: C56H102O5 MolecularWeight: 855.40608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1C)C)O)C(C)(C)CCCCC)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C56H102O5/c1-8-11-14-16-18-20-22-24-26-28-30-32-34-36-38-41-44-60-54(58)51(46-50-47-52(53(57)49(5)48(50)4)56(6,7)43-40-13-10-3)55(59)61-45-42-39-37-35-33-31-29-27-25-23-21-19-17-15-12-9-2/h47,51,57H,8-46H2,1-7H3