4-[4-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)sulfinylphenyl]sulfinyl-2,2-dimethyl-butanoic acid

Systemtic Name: 4-[4-(3,3-dimethyl-4-oxidanyl-4-oxidanylidene-butyl)sulfinylphenyl]sulfinyl-2,2-dimethyl-butanoic acid Openeye Name: 4-[4-(4-hydroxy-3,3-dimethyl-4-oxo-butyl)sulfinylphenyl]sulfinyl-2,2-dimethyl-butanoic acid CAS Name: 4-[4-(4-hydroxy-3,3-dimethyl-4-oxobutyl)sulfinylphenyl]sulfinyl-2,2-dimethylbutanoic acid IUPAC Name: 4-[4-(4-hydroxy-3,3-dimethyl-4-oxobutyl)sulfinylphenyl]sulfinyl-2,2-dimethylbutanoic acid Traditional Name: 4-[4-(4-hydroxy-4-keto-3,3-dimethyl-butyl)sulfinylphenyl]sulfinyl-2,2-dimethyl-butyric acid Formula: C18H26O6S2 MolecularWeight: 402.52544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCS(=O)C1=CC=C(C=C1)S(=O)CCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCS(=O)C1=CC=C(C=C1)S(=O)CCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C18H26O6S2/c1-17(2,15(19)20)9-11-25(23)13-5-7-14(8-6-13)26(24)12-10-18(3,4)16(21)22/h5-8H,9-12H2,1-4H3,(H,19,20)(H,21,22)