[4-acetyloxy-3-(acetyloxymethyl)butyl]azanium ethanoate

Systemtic Name: [4-acetyloxy-3-(acetyloxymethyl)butyl]azanium ethanoate Openeye Name: [4-acetoxy-3-(acetoxymethyl)butyl]ammonium acetate CAS Name: [4-acetyloxy-3-(acetyloxymethyl)butyl]ammonium acetate IUPAC Name: [4-acetyloxy-3-(acetyloxymethyl)butyl]azanium acetate Traditional Name: [4-acetoxy-3-(acetoxymethyl)butyl]ammonium acetate Formula: C11H21NO6 MolecularWeight: 263.28754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)OCC(CC[NH3+])COC(=O)C

Isomeric SMILES

CC(=O)[O-].CC(=O)OCC(CC[NH3+])COC(=O)C

InChI

InChI=1S/C9H17NO4.C2H4O2/c1-7(11)13-5-9(3-4-10)6-14-8(2)12;1-2(3)4/h9H,3-6,10H2,1-2H3;1H3,(H,3,4)