(2S)-2-(3,5-dimethylphenyl)sulfanyl-3-methyl-butanoic acid

Systemtic Name: (2S)-2-(3,5-dimethylphenyl)sulfanyl-3-methyl-butanoic acid Openeye Name: (2S)-2-(3,5-dimethylphenyl)sulfanyl-3-methyl-butanoic acid CAS Name: (2S)-2-[(3,5-dimethylphenyl)thio]-3-methylbutanoic acid IUPAC Name: (2S)-2-(3,5-dimethylphenyl)sulfanyl-3-methylbutanoic acid Traditional Name: (2S)-2-[(3,5-dimethylphenyl)thio]-3-methyl-butyric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC(=C1)S[C@@H](C(C)C)C(=O)O)C

InChI

InChI=1S/C13H18O2S/c1-8(2)12(13(14)15)16-11-6-9(3)5-10(4)7-11/h5-8,12H,1-4H3,(H,14,15)/t12-/m0/s1