2-(2,2-dimethylpropyl)-3-methyl-benzoate

Systemtic Name: 2-(2,2-dimethylpropyl)-3-methyl-benzoate Openeye Name: 2-(2,2-dimethylpropyl)-3-methyl-benzoate CAS Name: 2-(2,2-dimethylpropyl)-3-methylbenzoate IUPAC Name: 2-(2,2-dimethylpropyl)-3-methylbenzoate Traditional Name: 3-methyl-2-neopentyl-benzoate Formula: C13H17O2- MolecularWeight: 205.27288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1CC(C)(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1CC(C)(C)C)C(=O)[O-]

InChI

InChI=1S/C13H18O2/c1-9-6-5-7-10(12(14)15)11(9)8-13(2,3)4/h5-7H,8H2,1-4H3,(H,14,15)/p-1