2-(3,5,5-trimethylhexyl)benzoic acid

Systemtic Name: 2-(3,5,5-trimethylhexyl)benzoic acid Openeye Name: 2-(3,5,5-trimethylhexyl)benzoic acid CAS Name: 2-(3,5,5-trimethylhexyl)benzoic acid IUPAC Name: 2-(3,5,5-trimethylhexyl)benzoic acid Traditional Name: 2-(3,5,5-trimethylhexyl)benzoic acid Formula: C16H24O2 MolecularWeight: 248.36056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC=CC=C1C(=O)O)CC(C)(C)C

InChI

InChI=1S/C16H24O2/c1-12(11-16(2,3)4)9-10-13-7-5-6-8-14(13)15(17)18/h5-8,12H,9-11H2,1-4H3,(H,17,18)