methyl (1R,2R,4R,5S)-2-bromanyl-5-butanoyloxy-bicyclo[2.2.1]heptane-7-carboxylate

Systemtic Name: methyl (1R,2R,4R,5S)-2-bromanyl-5-butanoyloxy-bicyclo[2.2.1]heptane-7-carboxylate Openeye Name: methyl (1R,2R,4R,5S)-2-bromo-5-butanoyloxy-norbornane-7-carboxylate CAS Name: (1R,2R,4R,5S)-2-bromo-5-(1-oxobutoxy)-7-bicyclo[2.2.1]heptanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,4R,5S)-2-bromo-5-butanoyloxybicyclo[2.2.1]heptane-7-carboxylate Traditional Name: (1R,2R,4R,5S)-2-bromo-5-butyryloxy-norbornane-7-carboxylic acid methyl ester Formula: C13H19BrO4 MolecularWeight: 319.19156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1CC2C(CC1C2C(=O)OC)Br

Isomeric SMILES

CCCC(=O)O[C@H]1C[C@H]2[C@@H](C[C@@H]1C2C(=O)OC)Br

InChI

InChI=1S/C13H19BrO4/c1-3-4-11(15)18-10-6-7-9(14)5-8(10)12(7)13(16)17-2/h7-10,12H,3-6H2,1-2H3/t7-,8-,9+,10-,12?/m0/s1