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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) benzoate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) benzoate CAS Name: benzoic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) benzoate Traditional Name: benzoic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C20H17ClO4 MolecularWeight: 356.79958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClO4/c1-2-3-7-14-10-19(22)24-17-12-18(16(21)11-15(14)17)25-20(23)13-8-5-4-6-9-13/h4-6,8-12H,2-3,7H2,1H3