3-ethyloctan-4-one; (E)-3-phenylprop-2-enal

Systemtic Name: 3-ethyloctan-4-one; (E)-3-phenylprop-2-enal Openeye Name: 3-ethyloctan-4-one; (E)-3-phenylprop-2-enal CAS Name: 3-ethyl-4-octanone; (E)-3-phenyl-2-propenal IUPAC Name: 3-ethyloctan-4-one; (E)-3-phenylprop-2-enal Traditional Name: 3-ethyloctan-4-one; (E)-3-phenylacrolein Formula: C19H28O2 MolecularWeight: 288.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC)CC.C1=CC=C(C=C1)C=CC=O

Isomeric SMILES

CCCCC(=O)C(CC)CC.C1=CC=C(C=C1)/C=C/C=O

InChI

InChI=1S/C10H20O.C9H8O/c1-4-7-8-10(11)9(5-2)6-3;10-8-4-7-9-5-2-1-3-6-9/h9H,4-8H2,1-3H3;1-8H/b;7-4+