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

Systemtic Name: (1S,4S,5S)-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Openeye Name: (1S,4S,5S)-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid CAS Name: (1S,4S,5S)-5-bicyclo[2.2.2]oct-2-enecarboxylic acid IUPAC Name: (1S,4S,5S)-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Traditional Name: (1S,4S,5S)-bicyclo[2.2.2]oct-2-ene-5-carboxylic acid Formula: C9H12O2 MolecularWeight: 152.19038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CC1CC2C(=O)O

Isomeric SMILES

C1C[C@H]2C=C[C@@H]1C[C@@H]2C(=O)O

InChI

InChI=1S/C9H12O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h1,3,6-8H,2,4-5H2,(H,10,11)/t6-,7+,8-/m0/s1