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

Systemtic Name: 3-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]hexan-2-one Openeye Name: 3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]hexan-2-one CAS Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-hexanone IUPAC Name: 3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]hexan-2-one Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-benzyl)hexan-2-one Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)C

Isomeric SMILES

CCCC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)C

InChI

InChI=1S/C21H34O2/c1-9-10-16(14(2)22)11-15-12-17(20(3,4)5)19(23)18(13-15)21(6,7)8/h12-13,16,23H,9-11H2,1-8H3