4-butyl-6-chloranyl-7-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[2-(4-fluorophenyl)-2-oxidanylidene-ethoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[2-(4-fluorophenyl)-2-oxo-ethoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[2-(4-fluorophenyl)-2-keto-ethoxy]coumarin Formula: C21H18ClFO4 MolecularWeight: 388.816623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClFO4/c1-2-3-4-14-9-21(25)27-19-11-20(17(22)10-16(14)19)26-12-18(24)13-5-7-15(23)8-6-13/h5-11H,2-4,12H2,1H3