butanal; 2-ethylhexan-1-ol; (E)-2-ethylhex-2-enal

Systemtic Name: butanal; 2-ethylhexan-1-ol; (E)-2-ethylhex-2-enal Openeye Name: butanal; 2-ethylhexan-1-ol; (E)-2-ethylhex-2-enal CAS Name: butanal; 2-ethyl-1-hexanol; (E)-2-ethyl-2-hexenal IUPAC Name: butanal; 2-ethylhexan-1-ol; (E)-2-ethylhex-2-enal Traditional Name: butyraldehyde; 2-ethylhexan-1-ol; (E)-2-ethylhex-2-enal Formula: C20H40O3 MolecularWeight: 328.5298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(CC)CO.CCC/C=C(\CC)/C=O.CCCC=O

InChI

InChI=1S/C8H18O.C8H14O.C4H8O/c2*1-3-5-6-8(4-2)7-9;1-2-3-4-5/h8-9H,3-7H2,1-2H3;6-7H,3-5H2,1-2H3;4H,2-3H2,1H3/b;8-6+;