4,5-dimethyl-6-pentanoyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 4,5-dimethyl-6-pentanoyl-1-benzofuran-2-carboxylic acid Openeye Name: 4,5-dimethyl-6-pentanoyl-benzofuran-2-carboxylic acid CAS Name: 4,5-dimethyl-6-(1-oxopentyl)-2-benzofurancarboxylic acid IUPAC Name: 4,5-dimethyl-6-pentanoyl-1-benzofuran-2-carboxylic acid Traditional Name: 4,5-dimethyl-6-valeryl-coumarilic acid Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC2=C(C=C(O2)C(=O)O)C(=C1C)C

Isomeric SMILES

CCCCC(=O)C1=CC2=C(C=C(O2)C(=O)O)C(=C1C)C

InChI

InChI=1S/C16H18O4/c1-4-5-6-13(17)11-7-14-12(10(3)9(11)2)8-15(20-14)16(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)