4-(2-ethylhexanoyl)-5-oxidanyl-furan-3-one

Systemtic Name: 4-(2-ethylhexanoyl)-5-oxidanyl-furan-3-one Openeye Name: 4-(2-ethylhexanoyl)-5-hydroxy-furan-3-one CAS Name: 4-(2-ethyl-1-oxohexyl)-5-hydroxy-3-furanone IUPAC Name: 4-(2-ethylhexanoyl)-5-hydroxyfuran-3-one Traditional Name: 4-(2-ethylhexanoyl)-5-hydroxy-furan-3-one Formula: C12H18O4 MolecularWeight: 226.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)C1=C(OCC1=O)O

Isomeric SMILES

CCCCC(CC)C(=O)C1=C(OCC1=O)O

InChI

InChI=1S/C12H18O4/c1-3-5-6-8(4-2)11(14)10-9(13)7-16-12(10)15/h8,15H,3-7H2,1-2H3