4-butyl-6-chloranyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(2,5-dimethylphenyl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(2,5-dimethylphenyl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2,5-dimethylbenzyl)oxy-coumarin Formula: C22H23ClO3 MolecularWeight: 370.86922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClO3/c1-4-5-6-16-10-22(24)26-20-12-21(19(23)11-18(16)20)25-13-17-9-14(2)7-8-15(17)3/h7-12H,4-6,13H2,1-3H3