(E)-4-(2-butylfuran-3-yl)-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-(2-butylfuran-3-yl)-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-(2-butyl-3-furyl)-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-(2-butyl-3-furanyl)-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-(2-butylfuran-3-yl)-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(2-butyl-3-furyl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C12H14O5 MolecularWeight: 238.23656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CO1)C(=CC(=O)C(=O)O)O

Isomeric SMILES

CCCCC1=C(C=CO1)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C12H14O5/c1-2-3-4-11-8(5-6-17-11)9(13)7-10(14)12(15)16/h5-7,13H,2-4H2,1H3,(H,15,16)/b9-7+