sodium (2E,4E)-hexa-2,4-dienoate benzoate

Systemtic Name: sodium (2E,4E)-hexa-2,4-dienoate benzoate Openeye Name: sodium (2E,4E)-hexa-2,4-dienoate benzoate CAS Name: sodium (2E,4E)-hexa-2,4-dienoate benzoate IUPAC Name: sodium (2E,4E)-hexa-2,4-dienoate benzoate Traditional Name: sodium benzoate sorbate Formula: C13H12NaO4- MolecularWeight: 255.22175

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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-2/b;3-2+,5-4+;