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

Systemtic Name: 7-[[2,6-bis(fluoranyl)phenyl]methoxy]-4-butyl-6-chloranyl-chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2,6-difluorophenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2,6-difluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2,6-difluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2,6-difluorobenzyl)oxy-coumarin Formula: C20H17ClF2O3 MolecularWeight: 378.796986

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=C3F)F

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC=C3F)F

InChI

InChI=1S/C20H17ClF2O3/c1-2-3-5-12-8-20(24)26-18-10-19(15(21)9-13(12)18)25-11-14-16(22)6-4-7-17(14)23/h4,6-10H,2-3,5,11H2,1H3