2,2-dimethyl-3-(4-propan-2-ylphenyl)sulfanyl-propanoic acid

Systemtic Name: 2,2-dimethyl-3-(4-propan-2-ylphenyl)sulfanyl-propanoic acid Openeye Name: 3-(4-isopropylphenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 2,2-dimethyl-3-[(4-propan-2-ylphenyl)thio]propanoic acid IUPAC Name: 2,2-dimethyl-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid Traditional Name: 2,2-dimethyl-3-(p-cumenylthio)propionic acid Formula: C14H20O2S MolecularWeight: 252.3724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C)(C)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCC(C)(C)C(=O)O

InChI

InChI=1S/C14H20O2S/c1-10(2)11-5-7-12(8-6-11)17-9-14(3,4)13(15)16/h5-8,10H,9H2,1-4H3,(H,15,16)