ethyl ethanoate; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: ethyl ethanoate; (2E,4E)-hexa-2,4-dienoate Openeye Name: ethyl acetate; (2E,4E)-hexa-2,4-dienoate CAS Name: acetic acid ethyl ester; (2E,4E)-hexa-2,4-dienoate IUPAC Name: ethyl acetate; (2E,4E)-hexa-2,4-dienoate Traditional Name: acetic acid ethyl ester sorbate Formula: C10H15O4- MolecularWeight: 199.2237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C.CC=CC=CC(=O)[O-]

Isomeric SMILES

CCOC(=O)C.C/C=C/C=C/C(=O)[O-]

InChI

InChI=1S/C6H8O2.C4H8O2/c1-2-3-4-5-6(7)8;1-3-6-4(2)5/h2-5H,1H3,(H,7,8);3H2,1-2H3/p-1/b3-2+,5-4+;