5-chloranyl-3-ethyl-6-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-ethyl-6-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-chloro-3-ethyl-6-methyl-benzofuran-2-carboxylic acid CAS Name: 5-chloro-3-ethyl-6-methyl-2-benzofurancarboxylic acid IUPAC Name: 5-chloro-3-ethyl-6-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 5-chloro-3-ethyl-6-methyl-coumarilic acid Formula: C12H11ClO3 MolecularWeight: 238.66694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC(=C(C=C21)Cl)C)C(=O)O

Isomeric SMILES

CCC1=C(OC2=CC(=C(C=C21)Cl)C)C(=O)O

InChI

InChI=1S/C12H11ClO3/c1-3-7-8-5-9(13)6(2)4-10(8)16-11(7)12(14)15/h4-5H,3H2,1-2H3,(H,14,15)