7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 7-chloranyl-3-methyl-4-oxidanyl-5-propyl-1-benzofuran-2-carboxylic acid Openeye Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-benzofuran-2-carboxylic acid CAS Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-2-benzofurancarboxylic acid IUPAC Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-1-benzofuran-2-carboxylic acid Traditional Name: 7-chloro-4-hydroxy-3-methyl-5-propyl-coumarilic acid Formula: C13H13ClO4 MolecularWeight: 268.69292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1O)C(=C(O2)C(=O)O)C)Cl

Isomeric SMILES

CCCC1=CC(=C2C(=C1O)C(=C(O2)C(=O)O)C)Cl

InChI

InChI=1S/C13H13ClO4/c1-3-4-7-5-8(14)12-9(10(7)15)6(2)11(18-12)13(16)17/h5,15H,3-4H2,1-2H3,(H,16,17)