(2E,4E)-hexa-2,4-dienoate; (phenylmethyl)azanium

Systemtic Name: (2E,4E)-hexa-2,4-dienoate; (phenylmethyl)azanium Openeye Name: benzylammonium; (2E,4E)-hexa-2,4-dienoate CAS Name: (2E,4E)-hexa-2,4-dienoate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; (2E,4E)-hexa-2,4-dienoate Traditional Name: benzylammonium sorbate Formula: C13H17NO2 MolecularWeight: 219.27958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C6H8O2/c8-6-7-4-2-1-3-5-7;1-2-3-4-5-6(7)8/h1-5H,6,8H2;2-5H,1H3,(H,7,8)/b;3-2+,5-4+