(3-oxidanylidene-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) adamantane-1-carboxylate

Systemtic Name: (3-oxidanylidene-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) adamantane-1-carboxylate Openeye Name: (3-oxo-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (3-oxo-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) ester IUPAC Name: (3-oxo-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (3-keto-4,5-dihydro-1$l^{3},2-benziodoxepin-1-yl) ester Formula: C20H23IO4 MolecularWeight: 454.29869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)OI(C2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(=O)OI(C2=CC=CC=C21)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H23IO4/c22-18-6-5-16-3-1-2-4-17(16)21(24-18)25-19(23)20-10-13-7-14(11-20)9-15(8-13)12-20/h1-4,13-15H,5-12H2