4-butyl-6-chloranyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-chromen-2-one

Systemtic Name: 4-butyl-6-chloranyl-7-(1-oxidanylidene-1-phenyl-propan-2-yl)oxy-chromen-2-one Openeye Name: 4-butyl-6-chloro-7-(1-methyl-2-oxo-2-phenyl-ethoxy)chromen-2-one CAS Name: 4-butyl-6-chloro-7-(1-oxo-1-phenylpropan-2-yl)oxy-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-(1-oxo-1-phenylpropan-2-yl)oxychromen-2-one Traditional Name: 4-butyl-6-chloro-7-(2-keto-1-methyl-2-phenyl-ethoxy)coumarin Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO4/c1-3-4-8-16-11-21(24)27-19-13-20(18(23)12-17(16)19)26-14(2)22(25)15-9-6-5-7-10-15/h5-7,9-14H,3-4,8H2,1-2H3