[2,3-bis(2-acetyloxyethyl)phenyl]azanium ethanoate

Systemtic Name: [2,3-bis(2-acetyloxyethyl)phenyl]azanium ethanoate Openeye Name: [2,3-bis(2-acetoxyethyl)phenyl]ammonium acetate CAS Name: [2,3-bis(2-acetyloxyethyl)phenyl]ammonium acetate IUPAC Name: [2,3-bis(2-acetyloxyethyl)phenyl]azanium acetate Traditional Name: [2,3-bis(2-acetoxyethyl)phenyl]ammonium acetate Formula: C16H23NO6 MolecularWeight: 325.35692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)OCCC1=C(C(=CC=C1)[NH3+])CCOC(=O)C

Isomeric SMILES

CC(=O)[O-].CC(=O)OCCC1=C(C(=CC=C1)[NH3+])CCOC(=O)C

InChI

InChI=1S/C14H19NO4.C2H4O2/c1-10(16)18-8-6-12-4-3-5-14(15)13(12)7-9-19-11(2)17;1-2(3)4/h3-5H,6-9,15H2,1-2H3;1H3,(H,3,4)