(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 9-oxidanylidenebicyclo[3.3.1]nonane-3-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-oxo-3-bicyclo[3.3.1]nonanecarboxylic 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 9-oxobicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-ketobicyclo[3.3.1]nonane-3-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H21BrO5 MolecularWeight: 409.27104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CC2CC(CC(C1)C2=O)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

InChI=1S/C19H21BrO5/c20-15-9-17-16(23-4-5-24-17)8-14(15)10-25-19(22)13-6-11-2-1-3-12(7-13)18(11)21/h8-9,11-13H,1-7,10H2