(2E,4E)-hexa-2,4-dienoate; 2-methylpentane-2,4-diol

Systemtic Name: (2E,4E)-hexa-2,4-dienoate; 2-methylpentane-2,4-diol Openeye Name: (2E,4E)-hexa-2,4-dienoate; 2-methylpentane-2,4-diol CAS Name: (2E,4E)-hexa-2,4-dienoate; 2-methylpentane-2,4-diol IUPAC Name: (2E,4E)-hexa-2,4-dienoate; 2-methylpentane-2,4-diol Traditional Name: 2-methylpentane-2,4-diol sorbate Formula: C12H21O4- MolecularWeight: 229.29274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O2.C6H8O2/c1-5(7)4-6(2,3)8;1-2-3-4-5-6(7)8/h5,7-8H,4H2,1-3H3;2-5H,1H3,(H,7,8)/p-1/b;3-2+,5-4+