methyl (1S,4R,5S)-5-butanoyloxybicyclo[2.2.1]hept-2-ene-7-carboxylate

Systemtic Name: methyl (1S,4R,5S)-5-butanoyloxybicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: methyl (1S,4R,5S)-5-butanoyloxybicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: (1S,4R,5S)-5-(1-oxobutoxy)-7-bicyclo[2.2.1]hept-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1S,4R,5S)-5-butanoyloxybicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: (1S,4R,5S)-5-butyryloxybicyclo[2.2.1]hept-2-ene-7-carboxylic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O4/c1-3-4-11(14)17-10-7-8-5-6-9(10)12(8)13(15)16-2/h5-6,8-10,12H,3-4,7H2,1-2H3/t8-,9+,10+,12?/m1/s1