3-[5-methylidene-2-oxidanylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid

Systemtic Name: 3-[5-methylidene-2-oxidanylidene-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid Openeye Name: 3-[5-methylene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid CAS Name: 3-[5-methylene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-3-pyranyl]propanoic acid IUPAC Name: 3-[5-methylidene-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propanoic acid Traditional Name: 3-[2-keto-5-methylene-6-[(1E,3E)-penta-1,3-dienyl]pyran-3-yl]propionic acid Formula: C14H16O4 MolecularWeight: 254.230369

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC1C(=C)C=C(C(=O)O1)CCC(=O)O

Isomeric SMILES

[13CH3]/C=[13CH]/C=[13CH]/C1[13C](=C)C=[13C](C(=O)O1)C[13CH2]C(=O)O

InChI

InChI=1S/C14H16O4/c1-3-4-5-6-12-10(2)9-11(14(17)18-12)7-8-13(15)16/h3-6,9,12H,2,7-8H2,1H3,(H,15,16)/b4-3+,6-5+/i1+1,4+1,6+1,8+1,10+1,11+1