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

Systemtic Name: 5-[4-(4,4-dimethyl-5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenoxy]-2,2-dimethyl-pentanoic acid Openeye Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxo-pentyl)sulfanylphenoxy]-2,2-dimethyl-pentanoic acid CAS Name: 5-[4-[(5-hydroxy-4,4-dimethyl-5-oxopentyl)thio]phenoxy]-2,2-dimethylpentanoic acid IUPAC Name: 5-[4-(5-hydroxy-4,4-dimethyl-5-oxopentyl)sulfanylphenoxy]-2,2-dimethylpentanoic acid Traditional Name: 5-[4-[(5-hydroxy-5-keto-4,4-dimethyl-pentyl)thio]phenoxy]-2,2-dimethyl-valeric acid Formula: C20H30O5S MolecularWeight: 382.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCOC1=CC=C(C=C1)SCCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCOC1=CC=C(C=C1)SCCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H30O5S/c1-19(2,17(21)22)11-5-13-25-15-7-9-16(10-8-15)26-14-6-12-20(3,4)18(23)24/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)(H,23,24)