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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O2/c1-9-10-14(2)13-17(22)15-11-12-16(20(3,4)5)19(23)18(15)21(6,7)8/h1,11-12,14,23H,10,13H2,2-8H3