2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxidanylidene-ethanoate

Systemtic Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxidanylidene-ethanoate Openeye Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxo-acetate CAS Name: 2-[2-(2,2-dimethylpropylthio)phenyl]-2-oxoacetate IUPAC Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxoacetate Traditional Name: 2-keto-2-[2-(neopentylthio)phenyl]acetate Formula: C13H15O3S- MolecularWeight: 251.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=CC=CC=C1C(=O)C(=O)[O-]

Isomeric SMILES

CC(C)(C)CSC1=CC=CC=C1C(=O)C(=O)[O-]

InChI

InChI=1S/C13H16O3S/c1-13(2,3)8-17-10-7-5-4-6-9(10)11(14)12(15)16/h4-7H,8H2,1-3H3,(H,15,16)/p-1