2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-octadecyl-propanedioic acid

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-octadecyl-propanedioic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-octadecyl-propanedioic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octadecylpropanedioic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octadecylpropanedioic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-stearyl-malonic acid Formula: C36H62O5 MolecularWeight: 574.87448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)O)C(=O)O

InChI

InChI=1S/C36H62O5/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-36(32(38)39,33(40)41)27-28-25-29(34(2,3)4)31(37)30(26-28)35(5,6)7/h25-26,37H,8-24,27H2,1-7H3,(H,38,39)(H,40,41)