3-[[3-tert-butyl-5-[(3-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]-2-methyl-butanoic acid

Systemtic Name: 3-[[3-tert-butyl-5-[(3-methyl-4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]-4-oxidanyl-phenyl]methylsulfanyl]-2-methyl-butanoic acid Openeye Name: 3-[[3-tert-butyl-4-hydroxy-5-[(3-hydroxy-1,2-dimethyl-3-oxo-propyl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methyl-butanoic acid CAS Name: 3-[[3-tert-butyl-4-hydroxy-5-[[(4-hydroxy-3-methyl-4-oxobutan-2-yl)thio]methyl]phenyl]methylthio]-2-methylbutanoic acid IUPAC Name: 3-[[3-tert-butyl-4-hydroxy-5-[(4-hydroxy-3-methyl-4-oxobutan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-methylbutanoic acid Traditional Name: 3-[[3-tert-butyl-4-hydroxy-5-[[(3-hydroxy-3-keto-1,2-dimethyl-propyl)thio]methyl]benzyl]thio]-2-methyl-butyric acid Formula: C22H34O5S2 MolecularWeight: 442.63236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5S2/c1-12(20(24)25)14(3)28-10-16-8-17(11-29-15(4)13(2)21(26)27)19(23)18(9-16)22(5,6)7/h8-9,12-15,23H,10-11H2,1-7H3,(H,24,25)(H,26,27)