2-(4-propan-2-ylsulfanylphenyl)butanoic acid

Systemtic Name: 2-(4-propan-2-ylsulfanylphenyl)butanoic acid Openeye Name: 2-(4-isopropylsulfanylphenyl)butanoic acid CAS Name: 2-[4-(propan-2-ylthio)phenyl]butanoic acid IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)butanoic acid Traditional Name: 2-[4-(isopropylthio)phenyl]butyric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)SC(C)C)C(=O)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)SC(C)C)C(=O)O

InChI

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