(2S)-2-(2,5-dimethylphenyl)sulfanylpropanoic acid

Systemtic Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoic acid Openeye Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoic acid CAS Name: (2S)-2-[(2,5-dimethylphenyl)thio]propanoic acid IUPAC Name: (2S)-2-(2,5-dimethylphenyl)sulfanylpropanoic acid Traditional Name: (2S)-2-[(2,5-dimethylphenyl)thio]propionic acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-7-4-5-8(2)10(6-7)14-9(3)11(12)13/h4-6,9H,1-3H3,(H,12,13)/t9-/m0/s1