2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]propionic acid Formula: C16H24O2S MolecularWeight: 280.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC(C)C(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC(C)C(=O)O)C)C(C)(C)C

InChI

InChI=1S/C16H24O2S/c1-10-7-13(16(4,5)6)8-11(2)14(10)9-19-12(3)15(17)18/h7-8,12H,9H2,1-6H3,(H,17,18)