5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-4-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-4-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-(2-acetyl-3-oxo-but-1-enyl)-4-methyl-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-(2-acetyl-3-oxobut-1-enyl)-4-methyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-(2-acetyl-3-oxobut-1-enyl)-4-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-(2-acetyl-3-keto-but-1-enyl)-4-methyl-coumaran-2-carboxylic acid Formula: C16H16O5 MolecularWeight: 288.29524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1CC(O2)C(=O)O)C=C(C(=O)C)C(=O)C

Isomeric SMILES

CC1=C(C=CC2=C1CC(O2)C(=O)O)C=C(C(=O)C)C(=O)C

InChI

InChI=1S/C16H16O5/c1-8-11(6-13(9(2)17)10(3)18)4-5-14-12(8)7-15(21-14)16(19)20/h4-6,15H,7H2,1-3H3,(H,19,20)