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

Systemtic Name: 4-butyl-7-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-[(2-chloro-6-fluoro-phenyl)methoxy]chromen-2-one CAS Name: 4-butyl-7-[(2-chloro-6-fluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(2-chloro-6-fluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H18ClFO3/c1-2-3-5-13-10-20(23)25-19-11-14(8-9-15(13)19)24-12-16-17(21)6-4-7-18(16)22/h4,6-11H,2-3,5,12H2,1H3