3-(4-tert-butylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-tert-butylphenyl)sulfanylpropanoic acid Openeye Name: 3-(4-tert-butylphenyl)sulfanylpropanoic acid CAS Name: 3-[(4-tert-butylphenyl)thio]propanoic acid IUPAC Name: 3-(4-tert-butylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-tert-butylphenyl)thio]propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCCC(=O)O

InChI

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