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

Systemtic Name: disodium (2E,4E)-hexa-2,4-dienoate benzoate Openeye Name: disodium (2E,4E)-hexa-2,4-dienoate benzoate CAS Name: disodium (2E,4E)-hexa-2,4-dienoate benzoate IUPAC Name: disodium (2E,4E)-hexa-2,4-dienoate benzoate Traditional Name: disodium benzoate sorbate Formula: C13H12Na2O4 MolecularWeight: 278.21152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C6H8O2.2Na/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;;2*+1/p-2/b;3-2+,5-4+;;