[2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H18ClFO4 MolecularWeight: 400.827323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC=C4Cl)F)O3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC=C4Cl)F)O3

InChI

InChI=1S/C22H18ClFO4/c23-17-7-4-8-18(24)16(17)12-20-21(25)15-10-9-14(11-19(15)28-20)27-22(26)13-5-2-1-3-6-13/h4,7-13H,1-3,5-6H2