(3-oxidanyl-1-adamantyl) 2-bromanylethanoate

Systemtic Name: (3-oxidanyl-1-adamantyl) 2-bromanylethanoate Openeye Name: (3-hydroxy-1-adamantyl) 2-bromoacetate CAS Name: 2-bromoacetic acid (3-hydroxy-1-adamantyl) ester IUPAC Name: (3-hydroxy-1-adamantyl) 2-bromoacetate Traditional Name: 2-bromoacetic acid (3-hydroxy-1-adamantyl) ester Formula: C12H17BrO3 MolecularWeight: 289.16558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)OC(=O)CBr)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)OC(=O)CBr)O

InChI

InChI=1S/C12H17BrO3/c13-6-10(14)16-12-4-8-1-9(5-12)3-11(15,2-8)7-12/h8-9,15H,1-7H2