calcium (2E,4E)-hexa-2,4-dienoate

Systemtic Name: calcium (2E,4E)-hexa-2,4-dienoate Openeye Name: calcium (2E,4E)-hexa-2,4-dienoate CAS Name: calcium (2E,4E)-hexa-2,4-dienoate IUPAC Name: calcium (2E,4E)-hexa-2,4-dienoate Traditional Name: calcium disorbate Formula: C12H14CaO4 MolecularWeight: 262.31516

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Ca+2]

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].C/C=C/C=C/C(=O)[O-].[Ca+2]

InChI

InChI=1S/2C6H8O2.Ca/c2*1-2-3-4-5-6(7)8;/h2*2-5H,1H3,(H,7,8);/q;;+2/p-2/b2*3-2+,5-4+;