6,6-bis(fluoranyl)-6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexanoic acid

Systemtic Name: 6,6-bis(fluoranyl)-6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexanoic acid Openeye Name: 6,6-difluoro-6-(2-methyl-2,3-dihydrobenzofuran-5-yl)hexanoic acid CAS Name: 6,6-difluoro-6-(2-methyl-2,3-dihydrobenzofuran-5-yl)hexanoic acid IUPAC Name: 6,6-difluoro-6-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexanoic acid Traditional Name: 6,6-difluoro-6-(2-methylcoumaran-5-yl)hexanoic acid Formula: C15H18F2O3 MolecularWeight: 284.298426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C(CCCCC(=O)O)(F)F

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C(CCCCC(=O)O)(F)F

InChI

InChI=1S/C15H18F2O3/c1-10-8-11-9-12(5-6-13(11)20-10)15(16,17)7-3-2-4-14(18)19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,19)