1-oxidanyl-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylazanium

Systemtic Name: 1-oxidanyl-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylazanium Openeye Name: 1-hydroxy-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylammonium CAS Name: 1-hydroxy-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylammonium IUPAC Name: 1-hydroxy-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylazanium Traditional Name: 1-hydroxy-3,3-bis(trifluoromethyl)-1$l^{5},2-benziodoxole 1-oxide; tetrabutylammonium Formula: C25H41F6INO3+ MolecularWeight: 644.492829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C9H5F6IO3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-8(11,12)7(9(13,14)15)5-3-1-2-4-6(5)16(17,18)19-7/h5-16H2,1-4H3;1-4H,(H,17,18)/q+1;