(5E)-6,10-dimethylundeca-5,9-dien-2-one; nonanal

Systemtic Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; nonanal Openeye Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; nonanal CAS Name: (5E)-6,10-dimethyl-2-undeca-5,9-dienone; nonanal IUPAC Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; nonanal Traditional Name: (5E)-6,10-dimethylundeca-5,9-dien-2-one; pelargonaldehyde Formula: C22H40O2 MolecularWeight: 336.5518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22O.C9H18O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14;1-2-3-4-5-6-7-8-9-10/h7,9H,5-6,8,10H2,1-4H3;9H,2-8H2,1H3/b12-9+;