3-(2-chlorophenyl)-5-hexyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-(2-chlorophenyl)-5-hexyl-1-benzofuran-2-carboxylic acid Openeye Name: 3-(2-chlorophenyl)-5-hexyl-benzofuran-2-carboxylic acid CAS Name: 3-(2-chlorophenyl)-5-hexyl-2-benzofurancarboxylic acid IUPAC Name: 3-(2-chlorophenyl)-5-hexyl-1-benzofuran-2-carboxylic acid Traditional Name: 3-(2-chlorophenyl)-5-hexyl-coumarilic acid Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3Cl)C(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C=C1)OC(=C2C3=CC=CC=C3Cl)C(=O)O

InChI

InChI=1S/C21H21ClO3/c1-2-3-4-5-8-14-11-12-18-16(13-14)19(20(25-18)21(23)24)15-9-6-7-10-17(15)22/h6-7,9-13H,2-5,8H2,1H3,(H,23,24)