2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxo-acetic acid CAS Name: 2-[2-(2,2-dimethylpropylthio)phenyl]-2-oxoacetic acid IUPAC Name: 2-[2-(2,2-dimethylpropylsulfanyl)phenyl]-2-oxoacetic acid Traditional Name: 2-keto-2-[2-(neopentylthio)phenyl]acetic acid Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

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)