7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-chloranyl-5-(3-methylbutanoyl)-6-oxidanyl-2,3-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: 7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydrobenzofuran-2-carboxylic acid CAS Name: 7-chloro-6-hydroxy-5-(3-methyl-1-oxobutyl)-2,3-dihydrobenzofuran-2-carboxylic acid IUPAC Name: 7-chloro-6-hydroxy-5-(3-methylbutanoyl)-2,3-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: 7-chloro-6-hydroxy-5-isovaleryl-coumaran-2-carboxylic acid Formula: C14H15ClO5 MolecularWeight: 298.7189

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CC2=C(C(=C1O)Cl)OC(C2)C(=O)O

Isomeric SMILES

CC(C)CC(=O)C1=CC2=C(C(=C1O)Cl)OC(C2)C(=O)O

InChI

InChI=1S/C14H15ClO5/c1-6(2)3-9(16)8-4-7-5-10(14(18)19)20-13(7)11(15)12(8)17/h4,6,10,17H,3,5H2,1-2H3,(H,18,19)