sodium; benzoic acid; (2E,4E)-hexa-2,4-dienoate

Systemtic Name: sodium; benzoic acid; (2E,4E)-hexa-2,4-dienoate Openeye Name: sodium; benzoic acid; (2E,4E)-hexa-2,4-dienoate CAS Name: sodium; benzoic acid; (2E,4E)-hexa-2,4-dienoate IUPAC Name: sodium; benzoic acid; (2E,4E)-hexa-2,4-dienoate Traditional Name: sodium benzoic acid sorbate Formula: C13H13NaO4 MolecularWeight: 256.22969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H8O2.Na/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6(7)8;/h1-5H,(H,8,9);2-5H,1H3,(H,7,8);/q;;+1/p-1/b;3-2+,5-4+;