2-methylpropanoic acid; [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

Systemtic Name: 2-methylpropanoic acid; [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate Openeye Name: 2-methylpropanoic acid; [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid; 2-methylpropanoic acid [2,2,4-trimethyl-3-(2-methyl-1-oxopropoxy)pentyl] ester IUPAC Name: 2-methylpropanoic acid; [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate Traditional Name: isobutyric acid; 2-methylpropionic acid (3-isobutyryloxy-2,2,4-trimethyl-pentyl) ester Formula: C20H38O6 MolecularWeight: 374.51212

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)C(C)C.CC(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H30O4.C4H8O2/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4;1-3(2)4(5)6/h10-13H,9H2,1-8H3;3H,1-2H3,(H,5,6)