4-butyl-6-chloranyl-7-(1-phenylethoxy)chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-(1-phenylethoxy)chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(1-phenylethoxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-(1-phenylethoxy)-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(1-phenylethoxy)chromen-2-one Traditional Name: 4-butyl-6-chloro-7-(1-phenylethoxy)coumarin Formula: C21H21ClO3 MolecularWeight: 356.84264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO3/c1-3-4-8-16-11-21(23)25-19-13-20(18(22)12-17(16)19)24-14(2)15-9-6-5-7-10-15/h5-7,9-14H,3-4,8H2,1-2H3