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

Systemtic Name: 4-butyl-7-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-[(2-chloro-4-fluoro-phenyl)methoxy]chromen-2-one CAS Name: 4-butyl-7-[(2-chloro-4-fluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(2-chloro-4-fluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-(2-chloro-4-fluoro-benzyl)oxy-coumarin Formula: C20H18ClFO3 MolecularWeight: 360.806523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H18ClFO3/c1-2-3-4-13-9-20(23)25-19-11-16(7-8-17(13)19)24-12-14-5-6-15(22)10-18(14)21/h5-11H,2-4,12H2,1H3