3,7-Dichloropheniodoxin-5-ium bisulfate

HCID 32340

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Basic information

CAS: 24359-41-9
Standard SMILES: Clc1ccc2c(c1)[I+]c1cc(Cl)ccc1O2.O=S(=O)([O-])O
InChIKey: OVFAFJQGBAMEIB-UHFFFAOYSA-M
Molecular formula: C12H7Cl2IO5S
Average molar mass: 461.1 g/mol
Monoisotopic mass: 459.8436

Names & identifiers

Preferred name: 3,7-Dichloropheniodoxin-5-ium bisulfate
IUPAC: 5,13-dichloro-2-iodonia-9-oxatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene;hydrogen sulfate

Names & synonyms

3,7-Dichloropheniodoxin-5-ium bisulfate969C8VA30G3,7-DICHLORODIBENZ(BE)(1,4)OXIODINIUM BISULFATE24359-41-93,7-Dichlorodibenz(be)(1,4)oxiodinium bisulphatePheniodoxin-5-ium, 3,7-dichloro-, sulfate (1:1)UNII-969C8VA30G

Database identifiers

CAS: 24359-41-9
PubChem CID: 32340
UNII: 969C8VA30G

Properties

Computed structural properties

Topological polar surface area: 95 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 315

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