3-[[3-tert-butyl-4-oxidanyl-5-(3-oxidanylidenebutan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one

Systemtic Name: 3-[[3-tert-butyl-4-oxidanyl-5-(3-oxidanylidenebutan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one Openeye Name: 3-[[3-tert-butyl-4-hydroxy-5-[(1-methyl-2-oxo-propyl)sulfanylmethyl]phenyl]methylsulfanyl]butan-2-one CAS Name: 3-[[3-tert-butyl-4-hydroxy-5-[(3-oxobutan-2-ylthio)methyl]phenyl]methylthio]-2-butanone IUPAC Name: 3-[[3-tert-butyl-4-hydroxy-5-(3-oxobutan-2-ylsulfanylmethyl)phenyl]methylsulfanyl]butan-2-one Traditional Name: 3-[[3-tert-butyl-4-hydroxy-5-[[(2-keto-1-methyl-propyl)thio]methyl]benzyl]thio]butan-2-one Formula: C20H30O3S2 MolecularWeight: 382.5804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30O3S2/c1-12(21)14(3)24-10-16-8-17(11-25-15(4)13(2)22)19(23)18(9-16)20(5,6)7/h8-9,14-15,23H,10-11H2,1-7H3