(E)-but-2-enal; (E)-3-phenylprop-2-enal; prop-2-enal

Systemtic Name: (E)-but-2-enal; (E)-3-phenylprop-2-enal; prop-2-enal Openeye Name: (E)-but-2-enal; (E)-3-phenylprop-2-enal; prop-2-enal CAS Name: (E)-2-butenal; (E)-3-phenyl-2-propenal; 2-propenal IUPAC Name: (E)-but-2-enal; (E)-3-phenylprop-2-enal; prop-2-enal Traditional Name: acrolein; (E)-but-2-enal; (E)-3-phenylacrolein Formula: C16H18O3 MolecularWeight: 258.31232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O.C4H6O.C3H4O/c10-8-4-7-9-5-2-1-3-6-9;1-2-3-4-5;1-2-3-4/h1-8H;2-4H,1H3;2-3H,1H2/b7-4+;3-2+;