2-[(2S)-4-hexanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-hexanoyl-5-oxidanyl-3-oxidanylidene-furan-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-hexanoyl-5-hydroxy-3-oxo-2-furyl]acetic acid CAS Name: 2-[(2S)-5-hydroxy-3-oxo-4-(1-oxohexyl)-2-furanyl]acetic acid IUPAC Name: 2-[(2S)-4-hexanoyl-5-hydroxy-3-oxofuran-2-yl]acetic acid Traditional Name: 2-[(2S)-4-caproyl-5-hydroxy-3-keto-2-furyl]acetic acid Formula: C12H16O6 MolecularWeight: 256.25184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(OC(C1=O)CC(=O)O)O

Isomeric SMILES

CCCCCC(=O)C1=C(O[C@H](C1=O)CC(=O)O)O

InChI

InChI=1S/C12H16O6/c1-2-3-4-5-7(13)10-11(16)8(6-9(14)15)18-12(10)17/h8,17H,2-6H2,1H3,(H,14,15)/t8-/m0/s1