(E)-oct-4-en-3-one; 2H-pyran

Systemtic Name: (E)-oct-4-en-3-one; 2H-pyran Openeye Name: (E)-oct-4-en-3-one; 2H-pyran CAS Name: (E)-4-octen-3-one; 2H-pyran IUPAC Name: (E)-oct-4-en-3-one; 2H-pyran Traditional Name: (E)-oct-4-en-3-one; 2H-pyran Formula: C13H20O2 MolecularWeight: 208.2967

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(=O)CC.C1C=CC=CO1

Isomeric SMILES

CCC/C=C/C(=O)CC.C1C=CC=CO1

InChI

InChI=1S/C8H14O.C5H6O/c1-3-5-6-7-8(9)4-2;1-2-4-6-5-3-1/h6-7H,3-5H2,1-2H3;1-4H,5H2/b7-6+;