[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate

Systemtic Name: [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate Openeye Name: [1-isopropyl-2,2-dimethyl-3-(2-methylpropanoyloxy)propyl] benzoate CAS Name: benzoic acid [2,2,4-trimethyl-1-(2-methyl-1-oxopropoxy)pentan-3-yl] ester IUPAC Name: [2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzoate Traditional Name: benzoic acid (3-isobutyryloxy-1-isopropyl-2,2-dimethyl-propyl) ester Formula: C19H28O4 MolecularWeight: 320.42322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3