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

Systemtic Name: 4-butyl-6-chloranyl-7-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2-chloro-4-fluoro-phenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2-chloro-4-fluorophenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2-chloro-4-fluorophenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-chloro-4-fluoro-benzyl)oxy-coumarin Formula: C20H17Cl2FO3 MolecularWeight: 395.251583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2FO3/c1-2-3-4-12-7-20(24)26-18-10-19(17(22)9-15(12)18)25-11-13-5-6-14(23)8-16(13)21/h5-10H,2-4,11H2,1H3