4-butyl-6-chloranyl-7-[(3-fluorophenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(3-fluorophenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(3-fluorophenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(3-fluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(3-fluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(3-fluorobenzyl)oxy-coumarin Formula: C20H18ClFO3 MolecularWeight: 360.806523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=CC=C3)F

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC(=CC=C3)F

InChI

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