1-(3-tert-butyl-2-oxidanyl-phenyl)hex-5-yn-1-one

Systemtic Name: 1-(3-tert-butyl-2-oxidanyl-phenyl)hex-5-yn-1-one Openeye Name: 1-(3-tert-butyl-2-hydroxy-phenyl)hex-5-yn-1-one CAS Name: 1-(3-tert-butyl-2-hydroxyphenyl)-5-hexyn-1-one IUPAC Name: 1-(3-tert-butyl-2-hydroxyphenyl)hex-5-yn-1-one Traditional Name: 1-(3-tert-butyl-2-hydroxy-phenyl)hex-5-yn-1-one Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1O)C(=O)CCCC#C

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1O)C(=O)CCCC#C

InChI

InChI=1S/C16H20O2/c1-5-6-7-11-14(17)12-9-8-10-13(15(12)18)16(2,3)4/h1,8-10,18H,6-7,11H2,2-4H3