1-[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]hex-5-yn-1-one

Systemtic Name: 1-[3-tert-butyl-5-(2-methyl-1-oxidanyl-propan-2-yl)-4-oxidanyl-phenyl]hex-5-yn-1-one Openeye Name: 1-[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]hex-5-yn-1-one CAS Name: 1-[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)phenyl]-5-hexyn-1-one IUPAC Name: 1-[3-tert-butyl-4-hydroxy-5-(1-hydroxy-2-methylpropan-2-yl)phenyl]hex-5-yn-1-one Traditional Name: 1-[3-tert-butyl-4-hydroxy-5-(2-hydroxy-1,1-dimethyl-ethyl)phenyl]hex-5-yn-1-one Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O3/c1-7-8-9-10-17(22)14-11-15(19(2,3)4)18(23)16(12-14)20(5,6)13-21/h1,11-12,21,23H,8-10,13H2,2-6H3