(E)-2-ethylhex-2-enal; 3-oxidanylbutanal

Systemtic Name: (E)-2-ethylhex-2-enal; 3-oxidanylbutanal Openeye Name: (E)-2-ethylhex-2-enal; 3-hydroxybutanal CAS Name: (E)-2-ethyl-2-hexenal; 3-hydroxybutanal IUPAC Name: (E)-2-ethylhex-2-enal; 3-hydroxybutanal Traditional Name: (E)-2-ethylhex-2-enal; 3-hydroxybutyraldehyde Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=C(CC)C=O.CC(CC=O)O

Isomeric SMILES

CCC/C=C(\CC)/C=O.CC(CC=O)O

InChI

InChI=1S/C8H14O.C4H8O2/c1-3-5-6-8(4-2)7-9;1-4(6)2-3-5/h6-7H,3-5H2,1-2H3;3-4,6H,2H2,1H3/b8-6+;