[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] benzoate

Systemtic Name: [3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-2-oxidanylidene-4-propyl-chromen-7-yl] benzoate Openeye Name: [3-[(2-chloro-6-fluoro-phenyl)methyl]-2-oxo-4-propyl-chromen-7-yl] benzoate CAS Name: benzoic acid [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propyl-1-benzopyran-7-yl] ester IUPAC Name: [3-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-4-propylchromen-7-yl] benzoate Traditional Name: benzoic acid [3-(2-chloro-6-fluoro-benzyl)-2-keto-4-propyl-chromen-7-yl] ester Formula: C26H20ClFO4 MolecularWeight: 450.886003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCCC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H20ClFO4/c1-2-7-18-19-13-12-17(31-25(29)16-8-4-3-5-9-16)14-24(19)32-26(30)20(18)15-21-22(27)10-6-11-23(21)28/h3-6,8-14H,2,7,15H2,1H3