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

Systemtic Name: 4-[[4-[(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[[4-[(4-benzyloxy-3,3-dimethyl-4-oxo-butyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethyl-butanoic acid CAS Name: 4-[[4-[[(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)thio]methyl]phenyl]methylthio]-2,2-dimethylbutanoic acid IUPAC Name: 4-[[4-[(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfanylmethyl]phenyl]methylsulfanyl]-2,2-dimethylbutanoic acid Traditional Name: 4-[[4-[[(4-benzoxy-4-keto-3,3-dimethyl-butyl)thio]methyl]benzyl]thio]-2,2-dimethyl-butyric acid Formula: C27H36O4S2 MolecularWeight: 488.70234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CCSCC1=CC=C(C=C1)CSCCC(C)(C)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H36O4S2/c1-26(2,24(28)29)14-16-32-19-22-10-12-23(13-11-22)20-33-17-15-27(3,4)25(30)31-18-21-8-6-5-7-9-21/h5-13H,14-20H2,1-4H3,(H,28,29)