1-(2,4-ditert-butyl-5-methyl-3-oxidanyl-phenyl)hex-2-yn-1-one

Systemtic Name: 1-(2,4-ditert-butyl-5-methyl-3-oxidanyl-phenyl)hex-2-yn-1-one Openeye Name: 1-(2,4-ditert-butyl-3-hydroxy-5-methyl-phenyl)hex-2-yn-1-one CAS Name: 1-(2,4-ditert-butyl-3-hydroxy-5-methylphenyl)-2-hexyn-1-one IUPAC Name: 1-(2,4-ditert-butyl-3-hydroxy-5-methylphenyl)hex-2-yn-1-one Traditional Name: 1-(2,4-ditert-butyl-3-hydroxy-5-methyl-phenyl)hex-2-yn-1-one Formula: C21H30O2 MolecularWeight: 314.4617

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)C1=CC(=C(C(=C1C(C)(C)C)O)C(C)(C)C)C

Isomeric SMILES

CCCC#CC(=O)C1=CC(=C(C(=C1C(C)(C)C)O)C(C)(C)C)C

InChI

InChI=1S/C21H30O2/c1-9-10-11-12-16(22)15-13-14(2)17(20(3,4)5)19(23)18(15)21(6,7)8/h13,23H,9-10H2,1-8H3