3-(2,2-dimethylpropylsulfanyl)benzoic acid

Systemtic Name: 3-(2,2-dimethylpropylsulfanyl)benzoic acid Openeye Name: 3-(2,2-dimethylpropylsulfanyl)benzoic acid CAS Name: 3-(2,2-dimethylpropylthio)benzoic acid IUPAC Name: 3-(2,2-dimethylpropylsulfanyl)benzoic acid Traditional Name: 3-(neopentylthio)benzoic acid Formula: C12H16O2S MolecularWeight: 224.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CSC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CSC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16O2S/c1-12(2,3)8-15-10-6-4-5-9(7-10)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)