3-(2,2-dimethylpropyl)benzoic acid

Systemtic Name: 3-(2,2-dimethylpropyl)benzoic acid Openeye Name: 3-(2,2-dimethylpropyl)benzoic acid CAS Name: 3-(2,2-dimethylpropyl)benzoic acid IUPAC Name: 3-(2,2-dimethylpropyl)benzoic acid Traditional Name: 3-neopentylbenzoic acid Formula: C12H16O2 MolecularWeight: 192.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)(C)CC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16O2/c1-12(2,3)8-9-5-4-6-10(7-9)11(13)14/h4-7H,8H2,1-3H3,(H,13,14)