(1S,4S)-5-chloranyl-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylic acid

Systemtic Name: (1S,4S)-5-chloranyl-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylic acid Openeye Name: (1S,4S)-5-chloro-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylic acid CAS Name: (1S,4S)-5-chloro-5-cyano-4-methyl-3-bicyclo[2.2.2]oct-2-enecarboxylic acid IUPAC Name: (1S,4S)-5-chloro-5-cyano-4-methylbicyclo[2.2.2]oct-2-ene-3-carboxylic acid Traditional Name: (1S,4S)-5-chloro-5-cyano-4-methyl-bicyclo[2.2.2]oct-2-ene-3-carboxylic acid Formula: C11H12ClNO2 MolecularWeight: 225.67148

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1(C#N)Cl)C=C2C(=O)O

Isomeric SMILES

C[C@@]12CC[C@@H](CC1(C#N)Cl)C=C2C(=O)O

InChI

InChI=1S/C11H12ClNO2/c1-10-3-2-7(4-8(10)9(14)15)5-11(10,12)6-13/h4,7H,2-3,5H2,1H3,(H,14,15)/t7-,10+,11?/m1/s1