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

Systemtic Name: 2-(3,5,5-trimethylhexanoyloxy)benzoic acid Openeye Name: 2-(3,5,5-trimethylhexanoyloxy)benzoic acid CAS Name: 2-(3,5,5-trimethyl-1-oxohexoxy)benzoic acid IUPAC Name: 2-(3,5,5-trimethylhexanoyloxy)benzoic acid Traditional Name: 2-(3,5,5-trimethylhexanoyloxy)benzoic acid Formula: C16H22O4 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=CC=CC=C1C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CC(=O)OC1=CC=CC=C1C(=O)O)CC(C)(C)C

InChI

InChI=1S/C16H22O4/c1-11(10-16(2,3)4)9-14(17)20-13-8-6-5-7-12(13)15(18)19/h5-8,11H,9-10H2,1-4H3,(H,18,19)