(2E,4E)-hexa-2,4-dienoate; propane-1,2-diol

Systemtic Name: (2E,4E)-hexa-2,4-dienoate; propane-1,2-diol Openeye Name: (2E,4E)-hexa-2,4-dienoate; propane-1,2-diol CAS Name: (2E,4E)-hexa-2,4-dienoate; propane-1,2-diol IUPAC Name: (2E,4E)-hexa-2,4-dienoate; propane-1,2-diol Traditional Name: propane-1,2-diol sorbate Formula: C9H15O4- MolecularWeight: 187.213

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)[O-].CC(CO)O

Isomeric SMILES

C/C=C/C=C/C(=O)[O-].CC(CO)O

InChI

InChI=1S/C6H8O2.C3H8O2/c1-2-3-4-5-6(7)8;1-3(5)2-4/h2-5H,1H3,(H,7,8);3-5H,2H2,1H3/p-1/b3-2+,5-4+;