(phenylmethyl) 2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: (phenylmethyl) 2-(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: benzyl 2-(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-butyl-6-chloro-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(4-butyl-6-chloro-2-keto-chromen-7-yl)oxyacetic acid benzyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClO5/c1-2-3-9-16-10-21(24)28-19-12-20(18(23)11-17(16)19)26-14-22(25)27-13-15-7-5-4-6-8-15/h4-8,10-12H,2-3,9,13-14H2,1H3