7-[[2,6-bis(chloranyl)phenyl]methoxy]-4-butyl-8-methyl-chromen-2-one

Systemtic Name: 7-[[2,6-bis(chloranyl)phenyl]methoxy]-4-butyl-8-methyl-chromen-2-one Openeye Name: 4-butyl-7-[(2,6-dichlorophenyl)methoxy]-8-methyl-chromen-2-one CAS Name: 4-butyl-7-[(2,6-dichlorophenyl)methoxy]-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(2,6-dichlorophenyl)methoxy]-8-methylchromen-2-one Traditional Name: 4-butyl-7-(2,6-dichlorobenzyl)oxy-8-methyl-coumarin Formula: C21H20Cl2O3 MolecularWeight: 391.2877

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C21H20Cl2O3/c1-3-4-6-14-11-20(24)26-21-13(2)19(10-9-15(14)21)25-12-16-17(22)7-5-8-18(16)23/h5,7-11H,3-4,6,12H2,1-2H3