(3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-chloranyl-3-methyl-phenoxy)ethanoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-chloranyl-3-methyl-phenoxy)ethanoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-(4-chloro-3-methyl-phenoxy)acetate CAS Name: 2-(4-chloro-3-methylphenoxy)acetic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-(4-chloro-3-methylphenoxy)acetate Traditional Name: 2-(4-chloro-3-methyl-phenoxy)acetic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC(=C(C=C3)Cl)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC(=C(C=C3)Cl)C

InChI

InChI=1S/C22H21ClO5/c1-3-4-7-17-21(16-8-5-6-9-19(16)27-22(17)25)28-20(24)13-26-15-10-11-18(23)14(2)12-15/h5-6,8-12H,3-4,7,13H2,1-2H3