5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid

Systemtic Name: 5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanyl-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxo-pentyl)sulfanyl-2,5-dimethyl-phenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-[(5-hydroxy-4,4-dimethyl-5-oxopentyl)thio]-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentyl)sulfanyl-2,5-dimethylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-[(5-hydroxy-5-keto-4,4-dimethyl-pentyl)thio]-2,5-dimethyl-phenoxy]-2,2-dimethyl-valeric acid Formula: C22H34O5S MolecularWeight: 410.56736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1SCCCC(C)(C)C(=O)O)C)OCCCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1SCCCC(C)(C)C(=O)O)C)OCCCC(C)(C)C(=O)O

InChI

InChI=1S/C22H34O5S/c1-15-14-18(28-12-8-10-22(5,6)20(25)26)16(2)13-17(15)27-11-7-9-21(3,4)19(23)24/h13-14H,7-12H2,1-6H3,(H,23,24)(H,25,26)