hexane; (E)-3-phenylprop-2-enal

Systemtic Name: hexane; (E)-3-phenylprop-2-enal Openeye Name: hexane; (E)-3-phenylprop-2-enal CAS Name: hexane; (E)-3-phenyl-2-propenal IUPAC Name: hexane; (E)-3-phenylprop-2-enal Traditional Name: n-hexane; (E)-3-phenylacrolein Formula: C15H22O MolecularWeight: 218.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O.C6H14/c10-8-4-7-9-5-2-1-3-6-9;1-3-5-6-4-2/h1-8H;3-6H2,1-2H3/b7-4+;