dioctadecyl 2-[(3,5-dibutyl-4-oxidanyl-phenyl)methyl]propanedioate

Systemtic Name: dioctadecyl 2-[(3,5-dibutyl-4-oxidanyl-phenyl)methyl]propanedioate Openeye Name: dioctadecyl 2-[(3,5-dibutyl-4-hydroxy-phenyl)methyl]propanedioate CAS Name: 2-[(3,5-dibutyl-4-hydroxyphenyl)methyl]propanedioic acid dioctadecyl ester IUPAC Name: dioctadecyl 2-[(3,5-dibutyl-4-hydroxyphenyl)methyl]propanedioate Traditional Name: 2-(3,5-dibutyl-4-hydroxy-benzyl)malonic acid distearyl ester Formula: C54H98O5 MolecularWeight: 827.35292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)CCCC)O)CCCC)C(=O)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC1=CC(=C(C(=C1)CCCC)O)CCCC)C(=O)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H98O5/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-58-53(56)51(47-48-45-49(41-11-7-3)52(55)50(46-48)42-12-8-4)54(57)59-44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h45-46,51,55H,5-44,47H2,1-4H3