3-(4-propan-2-ylphenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-propan-2-ylphenyl)sulfanylpropanoic acid Openeye Name: 3-(4-isopropylphenyl)sulfanylpropanoic acid CAS Name: 3-[(4-propan-2-ylphenyl)thio]propanoic acid IUPAC Name: 3-(4-propan-2-ylphenyl)sulfanylpropanoic acid Traditional Name: 3-(p-cumenylthio)propionic acid Formula: C12H16O2S MolecularWeight: 224.31924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2S/c1-9(2)10-3-5-11(6-4-10)15-8-7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)