(1S,5R,8R)-5-ethyl-8-iodanyl-1-(phenylmethyl)-7-oxabicyclo[3.2.1]octane-4,6-dione

Systemtic Name: (1S,5R,8R)-5-ethyl-8-iodanyl-1-(phenylmethyl)-7-oxabicyclo[3.2.1]octane-4,6-dione Openeye Name: (1S,5R,8R)-1-benzyl-5-ethyl-8-iodo-7-oxabicyclo[3.2.1]octane-4,6-dione CAS Name: (1S,5R,8R)-5-ethyl-8-iodo-1-(phenylmethyl)-7-oxabicyclo[3.2.1]octane-4,6-dione IUPAC Name: (1S,5R,8R)-1-benzyl-5-ethyl-8-iodo-7-oxabicyclo[3.2.1]octane-4,6-dione Traditional Name: (1S,5R,8R)-1-benzyl-5-ethyl-8-iodo-7-oxabicyclo[3.2.1]octane-4,6-quinone Formula: C16H17IO3 MolecularWeight: 384.20885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(CCC1=O)(OC2=O)CC3=CC=CC=C3)I

Isomeric SMILES

CC[C@@]12[C@H]([C@@](CCC1=O)(OC2=O)CC3=CC=CC=C3)I

InChI

InChI=1S/C16H17IO3/c1-2-16-12(18)8-9-15(13(16)17,20-14(16)19)10-11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3/t13-,15-,16-/m0/s1