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

Systemtic Name: 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-2-octadecyl-icosanoic acid Openeye Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-2-octadecyl-icosanoic acid CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octadecyleicosanoic acid IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-octadecylicosanoic acid Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)-2-stearyl-arachidic acid Formula: C53H98O3 MolecularWeight: 783.34342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H98O3/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-53(50(55)56,45-46-43-47(51(3,4)5)49(54)48(44-46)52(6,7)8)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2/h43-44,54H,9-42,45H2,1-8H3,(H,55,56)