4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-4-methyl-pentan-2-one

Systemtic Name: 4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylsulfanyl]-4-methyl-pentan-2-one Openeye Name: 4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylsulfanyl]-4-methyl-pentan-2-one CAS Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylthio]-4-methyl-2-pentanone IUPAC Name: 4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylsulfanyl]-4-methylpentan-2-one Traditional Name: 4-[(3,5-ditert-butyl-4-hydroxy-benzyl)thio]-4-methyl-pentan-2-one Formula: C21H34O2S MolecularWeight: 350.55846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(=O)CC(C)(C)SCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H34O2S/c1-14(22)12-21(8,9)24-13-15-10-16(19(2,3)4)18(23)17(11-15)20(5,6)7/h10-11,23H,12-13H2,1-9H3