4-(3,5-dimethyl-4-methylsulfanyl-phenoxy)butanoic acid

Systemtic Name: 4-(3,5-dimethyl-4-methylsulfanyl-phenoxy)butanoic acid Openeye Name: 4-(3,5-dimethyl-4-methylsulfanyl-phenoxy)butanoic acid CAS Name: 4-[3,5-dimethyl-4-(methylthio)phenoxy]butanoic acid IUPAC Name: 4-(3,5-dimethyl-4-methylsulfanylphenoxy)butanoic acid Traditional Name: 4-[3,5-dimethyl-4-(methylthio)phenoxy]butyric acid Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC)C)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1SC)C)OCCCC(=O)O

InChI

InChI=1S/C13H18O3S/c1-9-7-11(8-10(2)13(9)17-3)16-6-4-5-12(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)