2-(azocan-1-ium-1-ylmethyl)-4,6-bis(iodanyl)phenolate

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-4,6-bis(iodanyl)phenolate Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-4,6-diiodo-phenolate CAS Name: 2-(1-azocan-1-iumylmethyl)-4,6-diiodophenolate IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-4,6-diiodophenolate Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-4,6-diiodo-phenolate Formula: C14H19I2NO MolecularWeight: 471.1157

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC(=CC(=C2[O-])I)I

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC(=CC(=C2[O-])I)I

InChI

InChI=1S/C14H19I2NO/c15-12-8-11(14(18)13(16)9-12)10-17-6-4-2-1-3-5-7-17/h8-9,18H,1-7,10H2