2,2,3-trimethyl-3-phenylsulfanyl-butanoic acid

Systemtic Name: 2,2,3-trimethyl-3-phenylsulfanyl-butanoic acid Openeye Name: 2,2,3-trimethyl-3-phenylsulfanyl-butanoic acid CAS Name: 2,2,3-trimethyl-3-(phenylthio)butanoic acid IUPAC Name: 2,2,3-trimethyl-3-phenylsulfanylbutanoic acid Traditional Name: 2,2,3-trimethyl-3-(phenylthio)butyric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)C(C)(C)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)O)C(C)(C)SC1=CC=CC=C1

InChI

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