2-[(4-tert-butylphenyl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]acetic acid CAS Name: 2-[(4-tert-butylphenyl)methylthio]acetic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-tert-butylbenzyl)thio]acetic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSCC(=O)O

InChI

InChI=1S/C13H18O2S/c1-13(2,3)11-6-4-10(5-7-11)8-16-9-12(14)15/h4-7H,8-9H2,1-3H3,(H,14,15)