butane-2,3-dione; (2E)-3,7-dimethylocta-2,6-dienal

Systemtic Name: butane-2,3-dione; (2E)-3,7-dimethylocta-2,6-dienal Openeye Name: butane-2,3-dione; (2E)-3,7-dimethylocta-2,6-dienal CAS Name: butane-2,3-dione; (2E)-3,7-dimethylocta-2,6-dienal IUPAC Name: butane-2,3-dione; (2E)-3,7-dimethylocta-2,6-dienal Traditional Name: biacetyl; (2E)-3,7-dimethylocta-2,6-dienal Formula: C14H22O3 MolecularWeight: 238.32268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O.C4H6O2/c1-9(2)5-4-6-10(3)7-8-11;1-3(5)4(2)6/h5,7-8H,4,6H2,1-3H3;1-2H3/b10-7+;