2-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-isopropylbenzyl)thio]propionic acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(C)C(=O)O

InChI

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