4-[4-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylphenyl]sulfanyl-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[4-(3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butyl)sulfanylphenyl]sulfanyl-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-(4-benzyloxy-3,3-dimethyl-4-oxo-butyl)sulfanylphenyl]sulfanyl-2,2-dimethyl-butanoic acid CAS Name: 4-[[4-[(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)thio]phenyl]thio]-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-(3,3-dimethyl-4-oxo-4-phenylmethoxybutyl)sulfanylphenyl]sulfanyl-2,2-dimethylbutanoic acid Traditional Name: 4-[[4-[(4-benzoxy-4-keto-3,3-dimethyl-butyl)thio]phenyl]thio]-2,2-dimethyl-butyric acid Formula: C25H32O4S2 MolecularWeight: 460.64918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C25H32O4S2/c1-24(2,22(26)27)14-16-30-20-10-12-21(13-11-20)31-17-15-25(3,4)23(28)29-18-19-8-6-5-7-9-19/h5-13H,14-18H2,1-4H3,(H,26,27)