5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-(2-ethanoyl-3-oxidanylidene-but-1-enyl)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 5-(2-acetyl-3-oxo-but-1-enyl)-6,7-dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 5-(2-acetyl-3-oxobut-1-enyl)-6,7-dimethyl-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 5-(2-acetyl-3-oxobut-1-enyl)-6,7-dimethyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 5-(2-acetyl-3-keto-but-1-enyl)-6,7-dimethyl-coumaran-2-carboxylic acid Formula: C17H18O5 MolecularWeight: 302.32182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CC(O2)C(=O)O)C=C1C=C(C(=O)C)C(=O)C)C

Isomeric SMILES

CC1=C(C2=C(CC(O2)C(=O)O)C=C1C=C(C(=O)C)C(=O)C)C

InChI

InChI=1S/C17H18O5/c1-8-9(2)16-13(7-15(22-16)17(20)21)5-12(8)6-14(10(3)18)11(4)19/h5-6,15H,7H2,1-4H3,(H,20,21)