4-[[4-[(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[[4-[(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[[4-[(4-hydroxy-3,3-dimethyl-4-oxo-butyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethyl-butanoic acid CAS Name: 4-[[4-[[(4-hydroxy-3,3-dimethyl-4-oxobutyl)thio]methyl]phenyl]methylthio]-2,2-dimethylbutanoic acid IUPAC Name: 4-[[4-[(4-hydroxy-3,3-dimethyl-4-oxobutyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethylbutanoic acid Traditional Name: 4-[[4-[[(4-hydroxy-4-keto-3,3-dimethyl-butyl)thio]methyl]benzyl]thio]-2,2-dimethyl-butyric acid Formula: C20H30O4S2 MolecularWeight: 398.5798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H30O4S2/c1-19(2,17(21)22)9-11-25-13-15-5-7-16(8-6-15)14-26-12-10-20(3,4)18(23)24/h5-8H,9-14H2,1-4H3,(H,21,22)(H,23,24)