2-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoic acid Openeye Name: 2-[1-(4-isopropylphenyl)ethylsulfanyl]propanoic acid CAS Name: 2-[1-(4-propan-2-ylphenyl)ethylthio]propanoic acid IUPAC Name: 2-[1-(4-propan-2-ylphenyl)ethylsulfanyl]propanoic acid Traditional Name: 2-(1-p-cumenylethylthio)propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O2S/c1-9(2)12-5-7-13(8-6-12)10(3)17-11(4)14(15)16/h5-11H,1-4H3,(H,15,16)