[2,4-bis(2-acetyloxyethyl)-3-methyl-phenyl]azanium ethanoate

Systemtic Name: [2,4-bis(2-acetyloxyethyl)-3-methyl-phenyl]azanium ethanoate Openeye Name: [2,4-bis(2-acetoxyethyl)-3-methyl-phenyl]ammonium acetate CAS Name: [2,4-bis(2-acetyloxyethyl)-3-methylphenyl]ammonium acetate IUPAC Name: [2,4-bis(2-acetyloxyethyl)-3-methylphenyl]azanium acetate Traditional Name: [2,4-bis(2-acetoxyethyl)-3-methyl-phenyl]ammonium acetate Formula: C17H25NO6 MolecularWeight: 339.3835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1CCOC(=O)C)[NH3+])CCOC(=O)C.CC(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1CCOC(=O)C)[NH3+])CCOC(=O)C.CC(=O)[O-]

InChI

InChI=1S/C15H21NO4.C2H4O2/c1-10-13(6-8-19-11(2)17)4-5-15(16)14(10)7-9-20-12(3)18;1-2(3)4/h4-5H,6-9,16H2,1-3H3;1H3,(H,3,4)