4-(4-propan-2-ylphenyl)sulfanylbutanoic acid

Systemtic Name: 4-(4-propan-2-ylphenyl)sulfanylbutanoic acid Openeye Name: 4-(4-isopropylphenyl)sulfanylbutanoic acid CAS Name: 4-[(4-propan-2-ylphenyl)thio]butanoic acid IUPAC Name: 4-(4-propan-2-ylphenyl)sulfanylbutanoic acid Traditional Name: 4-(p-cumenylthio)butyric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCCC(=O)O

InChI

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