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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=C1C=C(C(=C2)C)C=C(C(=O)C)C(=O)C)C(=O)O

Isomeric SMILES

CC1C(OC2=C1C=C(C(=C2)C)C=C(C(=O)C)C(=O)C)C(=O)O

InChI

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