(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H17ClO6 MolecularWeight: 412.81978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H17ClO6/c1-13(24)14-2-4-15(5-3-14)19-6-7-20(29-19)22(25)27-11-17-9-18(23)8-16-10-26-12-28-21(16)17/h2-9H,10-12H2,1H3