(2E,4E)-hexa-2,4-dienoate; phenol

Systemtic Name: (2E,4E)-hexa-2,4-dienoate; phenol Openeye Name: (2E,4E)-hexa-2,4-dienoate; phenol CAS Name: (2E,4E)-hexa-2,4-dienoate; phenol IUPAC Name: (2E,4E)-hexa-2,4-dienoate; phenol Traditional Name: phenol sorbate Formula: C42H43O8- MolecularWeight: 675.78602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O2.6C6H6O/c1-2-3-4-5-6(7)8;6*7-6-4-2-1-3-5-6/h2-5H,1H3,(H,7,8);6*1-5,7H/p-1/b3-2+,5-4+;;;;;;