(2,6-ditert-butyl-4-methyl-phenyl) 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]icosanoate

Systemtic Name: (2,6-ditert-butyl-4-methyl-phenyl) 2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]icosanoate Openeye Name: (2,6-ditert-butyl-4-methyl-phenyl) 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]icosanoate CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]eicosanoic acid (2,6-ditert-butyl-4-methylphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methylphenyl) 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]icosanoate Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-benzyl)arachidic acid (2,6-ditert-butyl-4-methyl-phenyl) ester Formula: C50H84O3 MolecularWeight: 733.20016

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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)OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OC2=C(C=C(C=C2C(C)(C)C)C)C(C)(C)C

InChI

InChI=1S/C50H84O3/c1-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-39(34-38-35-40(47(3,4)5)44(51)41(36-38)48(6,7)8)46(52)53-45-42(49(9,10)11)32-37(2)33-43(45)50(12,13)14/h32-33,35-36,39,51H,15-31,34H2,1-14H3