3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butanoic acid Openeye Name: 3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butanoic acid CAS Name: 3,3-dimethyl-2-[[4-(methylthio)phenyl]methyl]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butanoic acid Traditional Name: 3,3-dimethyl-2-[4-(methylthio)benzyl]butyric acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC1=CC=C(C=C1)SC)C(=O)O

Isomeric SMILES

CC(C)(C)C(CC1=CC=C(C=C1)SC)C(=O)O

InChI

InChI=1S/C14H20O2S/c1-14(2,3)12(13(15)16)9-10-5-7-11(17-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,15,16)