3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-methyl-5-(3-oxidanylidenebutyl)-1-benzofuran-2-carboxylic acid Openeye Name: 3-methyl-5-(3-oxobutyl)benzofuran-2-carboxylic acid CAS Name: 3-methyl-5-(3-oxobutyl)-2-benzofurancarboxylic acid IUPAC Name: 3-methyl-5-(3-oxobutyl)-1-benzofuran-2-carboxylic acid Traditional Name: 5-(3-ketobutyl)-3-methyl-coumarilic acid Formula: C14H14O4 MolecularWeight: 246.25856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)CCC(=O)C)C(=O)O

InChI

InChI=1S/C14H14O4/c1-8(15)3-4-10-5-6-12-11(7-10)9(2)13(18-12)14(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)