6-hexadecyl-1-oxidanyl-[1,2]iodoxolo[5,4-c]pyridin-6-ium-3-one

Systemtic Name: 6-hexadecyl-1-oxidanyl-[1,2]iodoxolo[5,4-c]pyridin-6-ium-3-one Openeye Name: 6-hexadecyl-1-hydroxy-iodoxolo[5,4-c]pyridin-6-ium-3-one CAS Name: 6-hexadecyl-1-hydroxy-3-iodoxolo[5,4-c]pyridin-6-iumone IUPAC Name: 6-hexadecyl-1-hydroxyiodoxolo[5,4-c]pyridin-6-ium-3-one Traditional Name: 6-cetyl-1-hydroxy-iodoxolo[5,4-c]pyridin-6-ium-3-one Formula: C22H37INO3+ MolecularWeight: 490.43855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC2=C(C=C1)C(=O)OI2O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC2=C(C=C1)C(=O)OI2O

InChI

InChI=1S/C22H37INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-24-18-16-20-21(19-24)23(26)27-22(20)25/h16,18-19,26H,2-15,17H2,1H3/q+1