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

Systemtic Name: 3-(2,5-dimethylphenyl)sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-(2,5-dimethylphenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(2,5-dimethylphenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(2,5-dimethylphenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[(2,5-dimethylphenyl)thio]-2,2-dimethyl-propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-9-5-6-10(2)11(7-9)16-8-13(3,4)12(14)15/h5-7H,8H2,1-4H3,(H,14,15)