3-(2,5-dimethylphenyl)sulfanyl-2-methyl-propanoic acid

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanyl-2-methyl-propanoic acid Openeye Name: 3-(2,5-dimethylphenyl)sulfanyl-2-methyl-propanoic acid CAS Name: 3-[(2,5-dimethylphenyl)thio]-2-methylpropanoic acid IUPAC Name: 3-(2,5-dimethylphenyl)sulfanyl-2-methylpropanoic acid Traditional Name: 3-[(2,5-dimethylphenyl)thio]-2-methyl-propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-8-4-5-9(2)11(6-8)15-7-10(3)12(13)14/h4-6,10H,7H2,1-3H3,(H,13,14)