5-(2-methylpropanoyl)-3,6-bis(oxidanylidene)nonanal

Systemtic Name: 5-(2-methylpropanoyl)-3,6-bis(oxidanylidene)nonanal Openeye Name: 5-(2-methylpropanoyl)-3,6-dioxo-nonanal CAS Name: 5-(2-methyl-1-oxopropyl)-3,6-dioxononanal IUPAC Name: 5-(2-methylpropanoyl)-3,6-dioxononanal Traditional Name: 5-isobutyryl-3,6-diketo-pelargonaldehyde Formula: C13H20O4 MolecularWeight: 240.2955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4/c1-4-5-12(16)11(13(17)9(2)3)8-10(15)6-7-14/h7,9,11H,4-6,8H2,1-3H3