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2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]docosane-1,3-diol

2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]docosane-1,3-diol

Systemtic Name:2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]docosane-1,3-diol
Openeye Name:2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]docosane-1,3-diol
CAS Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]docosane-1,3-diol
IUPAC Name:2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]docosane-1,3-diol
Traditional Name:2-(3,5-ditert-butyl-4-hydroxy-benzyl)docosane-1,3-diol
Formula: C37H68O3
MolecularWeight: 560.93402
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)CO)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)CO)O


InChI

InChI=1S/C37H68O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-34(39)31(29-38)26-30-27-32(36(2,3)4)35(40)33(28-30)37(5,6)7/h27-28,31,34,38-40H,8-26,29H2,1-7H3


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