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

Systemtic Name: 4-[3-(3,3-dimethyl-4-oxidanylidene-4-phenoxy-butyl)sulfinylpropylsulfinyl]-2,2-dimethyl-butanoic acid Openeye Name: 4-[3-(3,3-dimethyl-4-oxo-4-phenoxy-butyl)sulfinylpropylsulfinyl]-2,2-dimethyl-butanoic acid CAS Name: 4-[3-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfinylpropylsulfinyl]-2,2-dimethylbutanoic acid IUPAC Name: 4-[3-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfinylpropylsulfinyl]-2,2-dimethylbutanoic acid Traditional Name: 4-[3-(4-keto-3,3-dimethyl-4-phenoxy-butyl)sulfinylpropylsulfinyl]-2,2-dimethyl-butyric acid Formula: C21H32O6S2 MolecularWeight: 444.60518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCS(=O)CCCS(=O)CCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(CCS(=O)CCCS(=O)CCC(C)(C)C(=O)OC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C21H32O6S2/c1-20(2,18(22)23)11-15-28(25)13-8-14-29(26)16-12-21(3,4)19(24)27-17-9-6-5-7-10-17/h5-7,9-10H,8,11-16H2,1-4H3,(H,22,23)