2,6-bis(oxidanylidene)cyclohex-3-ene-1-carboxylic acid; butanal

Systemtic Name: 2,6-bis(oxidanylidene)cyclohex-3-ene-1-carboxylic acid; butanal Openeye Name: butanal; 2,6-dioxocyclohex-3-ene-1-carboxylic acid CAS Name: butanal; 2,6-dioxo-1-cyclohex-3-enecarboxylic acid IUPAC Name: butanal; 2,6-dioxocyclohex-3-ene-1-carboxylic acid Traditional Name: butyraldehyde; 2,6-diketocyclohex-3-ene-1-carboxylic acid Formula: C11H14O5 MolecularWeight: 226.22586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=O.C1C=CC(=O)C(C1=O)C(=O)O

Isomeric SMILES

CCCC=O.C1C=CC(=O)C(C1=O)C(=O)O

InChI

InChI=1S/C7H6O4.C4H8O/c8-4-2-1-3-5(9)6(4)7(10)11;1-2-3-4-5/h1-2,6H,3H2,(H,10,11);4H,2-3H2,1H3