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

Systemtic Name: calcium; (2E,4E)-hexa-2,4-dienoate; propanoate Openeye Name: calcium; (2E,4E)-hexa-2,4-dienoate; propanoate CAS Name: calcium; (2E,4E)-hexa-2,4-dienoate; propanoate IUPAC Name: calcium; (2E,4E)-hexa-2,4-dienoate; propanoate Traditional Name: calcium propionate sorbate Formula: C9H12CaO4 MolecularWeight: 224.26718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O2.C3H6O2.Ca/c1-2-3-4-5-6(7)8;1-2-3(4)5;/h2-5H,1H3,(H,7,8);2H2,1H3,(H,4,5);/q;;+2/p-2/b3-2+,5-4+;;