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

Systemtic Name: 6-chloranyl-7-[(2,5-dimethylphenyl)methoxy]-4-propyl-chromen-2-one Openeye Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-4-propyl-chromen-2-one CAS Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-4-propyl-1-benzopyran-2-one IUPAC Name: 6-chloro-7-[(2,5-dimethylphenyl)methoxy]-4-propylchromen-2-one Traditional Name: 6-chloro-7-(2,5-dimethylbenzyl)oxy-4-propyl-coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21ClO3/c1-4-5-15-9-21(23)25-19-11-20(18(22)10-17(15)19)24-12-16-8-13(2)6-7-14(16)3/h6-11H,4-5,12H2,1-3H3