3-[4-hexyl-2,5-bis(oxidanylidene)furan-3-yl]propanoic acid

Systemtic Name: 3-[4-hexyl-2,5-bis(oxidanylidene)furan-3-yl]propanoic acid Openeye Name: 3-(4-hexyl-2,5-dioxo-3-furyl)propanoic acid CAS Name: 3-(4-hexyl-2,5-dioxo-3-furanyl)propanoic acid IUPAC Name: 3-(4-hexyl-2,5-dioxofuran-3-yl)propanoic acid Traditional Name: 3-(4-hexyl-2,5-diketo-3-furyl)propionic acid Formula: C13H18O5 MolecularWeight: 254.27902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=O)OC1=O)CCC(=O)O

Isomeric SMILES

CCCCCCC1=C(C(=O)OC1=O)CCC(=O)O

InChI

InChI=1S/C13H18O5/c1-2-3-4-5-6-9-10(7-8-11(14)15)13(17)18-12(9)16/h2-8H2,1H3,(H,14,15)