(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H19ClO6/c1-2-24-11-17-16-5-3-4-6-18(16)28-20(17)21(23)26-10-14-8-15(22)7-13-9-25-12-27-19(13)14/h3-8H,2,9-12H2,1H3