(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H19BrO7 MolecularWeight: 463.27536

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C21H19BrO7/c22-15-11-20-19(27-7-8-28-20)10-14(15)12-29-21(24)4-2-16(23)13-1-3-17-18(9-13)26-6-5-25-17/h1,3,9-11H,2,4-8,12H2