2-(3,5-ditert-butyl-4-oxidanyl-phenyl)icosan-3-one

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)icosan-3-one Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)icosan-3-one CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-eicosanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)icosan-3-one Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)eicosan-3-one Formula: C34H60O2 MolecularWeight: 500.839

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C34H60O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(35)27(2)28-25-29(33(3,4)5)32(36)30(26-28)34(6,7)8/h25-27,36H,9-24H2,1-8H3