methyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]icosanoate

Systemtic Name: methyl 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]icosanoate Openeye Name: methyl 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]icosanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]eicosanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]icosanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)arachidic acid methyl ester Formula: C36H64O3 MolecularWeight: 544.89156

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C36H64O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-30(34(38)39-8)26-29-27-31(35(2,3)4)33(37)32(28-29)36(5,6)7/h27-28,30,37H,9-26H2,1-8H3