3,3-dimethyl-4-(4-methylsulfanylphenoxy)butanoic acid

Systemtic Name: 3,3-dimethyl-4-(4-methylsulfanylphenoxy)butanoic acid Openeye Name: 3,3-dimethyl-4-(4-methylsulfanylphenoxy)butanoic acid CAS Name: 3,3-dimethyl-4-[4-(methylthio)phenoxy]butanoic acid IUPAC Name: 3,3-dimethyl-4-(4-methylsulfanylphenoxy)butanoic acid Traditional Name: 3,3-dimethyl-4-[4-(methylthio)phenoxy]butyric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)O)COC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(CC(=O)O)COC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H18O3S/c1-13(2,8-12(14)15)9-16-10-4-6-11(17-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)