1-(3-tert-butyl-4-oxidanyl-5-propyl-phenyl)hept-6-yn-1-one

Systemtic Name: 1-(3-tert-butyl-4-oxidanyl-5-propyl-phenyl)hept-6-yn-1-one Openeye Name: 1-(3-tert-butyl-4-hydroxy-5-propyl-phenyl)hept-6-yn-1-one CAS Name: 1-(3-tert-butyl-4-hydroxy-5-propylphenyl)-6-heptyn-1-one IUPAC Name: 1-(3-tert-butyl-4-hydroxy-5-propylphenyl)hept-6-yn-1-one Traditional Name: 1-(3-tert-butyl-4-hydroxy-5-propyl-phenyl)hept-6-yn-1-one Formula: C20H28O2 MolecularWeight: 300.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)CCCCC#C)C(C)(C)C)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)CCCCC#C)C(C)(C)C)O

InChI

InChI=1S/C20H28O2/c1-6-8-9-10-12-18(21)16-13-15(11-7-2)19(22)17(14-16)20(3,4)5/h1,13-14,22H,7-12H2,2-5H3