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

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

Systemtic Name:2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]docosanoate
Openeye Name:2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]docosanoate
CAS Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]docosanoate
IUPAC Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]docosanoate
Traditional Name:2-(3,5-ditert-butyl-4-hydroxy-benzyl)behenate
Formula: C37H65O3-
MolecularWeight: 557.9102
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)[O-]


InChI

InChI=1S/C37H66O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35(39)40)27-30-28-32(36(2,3)4)34(38)33(29-30)37(5,6)7/h28-29,31,38H,8-27H2,1-7H3,(H,39,40)/p-1


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