4-(6-oxidanyl-4-oxidanylidene-5-propanoyl-pyran-2-yl)pentanal

Systemtic Name: 4-(6-oxidanyl-4-oxidanylidene-5-propanoyl-pyran-2-yl)pentanal Openeye Name: 4-(6-hydroxy-4-oxo-5-propanoyl-pyran-2-yl)pentanal CAS Name: 4-[6-hydroxy-4-oxo-5-(1-oxopropyl)-2-pyranyl]pentanal IUPAC Name: 4-(6-hydroxy-4-oxo-5-propanoylpyran-2-yl)pentanal Traditional Name: 4-(6-hydroxy-4-keto-5-propionyl-pyran-2-yl)valeraldehyde Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(OC(=CC1=O)C(C)CCC=O)O

Isomeric SMILES

CCC(=O)C1=C(OC(=CC1=O)C(C)CCC=O)O

InChI

InChI=1S/C13H16O5/c1-3-9(15)12-10(16)7-11(18-13(12)17)8(2)5-4-6-14/h6-8,17H,3-5H2,1-2H3