2-[(7-chloranyl-1-benzofuran-4-yl)methyl]propanedioic acid

Systemtic Name: 2-[(7-chloranyl-1-benzofuran-4-yl)methyl]propanedioic acid Openeye Name: 2-[(7-chlorobenzofuran-4-yl)methyl]propanedioic acid CAS Name: 2-[(7-chloro-4-benzofuranyl)methyl]propanedioic acid IUPAC Name: 2-[(7-chloro-1-benzofuran-4-yl)methyl]propanedioic acid Traditional Name: 2-[(7-chlorobenzofuran-4-yl)methyl]malonic acid Formula: C12H9ClO5 MolecularWeight: 268.64986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1CC(C(=O)O)C(=O)O)C=CO2)Cl

Isomeric SMILES

C1=CC(=C2C(=C1CC(C(=O)O)C(=O)O)C=CO2)Cl

InChI

InChI=1S/C12H9ClO5/c13-9-2-1-6(7-3-4-18-10(7)9)5-8(11(14)15)12(16)17/h1-4,8H,5H2,(H,14,15)(H,16,17)