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

Systemtic Name: 4-[4-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfanylphenyl]sulfanyl-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-(3,3-dimethyl-4-oxo-4-phenoxy-butyl)sulfanylphenyl]sulfanyl-2,2-dimethyl-butanoic acid CAS Name: 4-[[4-[(3,3-dimethyl-4-oxo-4-phenoxybutyl)thio]phenyl]thio]-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfanylphenyl]sulfanyl-2,2-dimethylbutanoic acid Traditional Name: 4-[[4-[(4-keto-3,3-dimethyl-4-phenoxy-butyl)thio]phenyl]thio]-2,2-dimethyl-butyric acid Formula: C24H30O4S2 MolecularWeight: 446.6226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)C(=O)OC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(CCSC1=CC=C(C=C1)SCCC(C)(C)C(=O)OC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H30O4S2/c1-23(2,21(25)26)14-16-29-19-10-12-20(13-11-19)30-17-15-24(3,4)22(27)28-18-8-6-5-7-9-18/h5-13H,14-17H2,1-4H3,(H,25,26)