1-oxidanidyl-1$l^{3},2-benziodoxol-3-one; tetrabutylazanium

Systemtic Name: 1-oxidanidyl-1$l^{3},2-benziodoxol-3-one; tetrabutylazanium Openeye Name: 1-oxido-1$l^{3},2-benziodoxol-3-one; tetrabutylammonium CAS Name: 1-oxido-1$l^{3},2-benziodoxol-3-one; tetrabutylammonium IUPAC Name: 1-oxido-1$l^{3},2-benziodoxol-3-one; tetrabutylazanium Traditional Name: 1-oxido-1$l^{3},2-benziodoxol-3-one; tetrabutylammonium Formula: C23H40INO3 MolecularWeight: 505.47307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C(=O)OI2[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C(=O)OI2[O-]

InChI

InChI=1S/C16H36N.C7H4IO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;9-7-5-3-1-2-4-6(5)8(10)11-7/h5-16H2,1-4H3;1-4H/q+1;-1