4-butyl-6-chloranyl-7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2-chloro-6-fluoro-phenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2-chloro-6-fluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2-chloro-6-fluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-chloro-6-fluoro-benzyl)oxy-coumarin Formula: C20H17Cl2FO3 MolecularWeight: 395.251583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H17Cl2FO3/c1-2-3-5-12-8-20(24)26-18-10-19(16(22)9-13(12)18)25-11-14-15(21)6-4-7-17(14)23/h4,6-10H,2-3,5,11H2,1H3