Basic information
- CAS
73676-43-4- Standard SMILES
O=C1OC2(c3cc(N=C=S)ccc31)c1cc(I)c([O-])c(I)c1Oc1c2cc(I)c([O-])c1I.[Na+].[Na+]- InChIKey
KPBGWWXVWRSIAY-UHFFFAOYSA-L- Molecular formula
- C21H5I4NNa2O5S
- Average molar mass
- 936.9 g/mol
- Monoisotopic mass
- 936.58627382
Names & identifiers
- Preferred name
- Erythrosine isothiocyanate
- IUPAC
- disodium;2',4',5',7'-tetraiodo-6-isothiocyanato-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
- English name
- erythrosine isothiocyanate
- Molecular formula
- C21H8I4NNaO5S
- Molecular weight
- 916.96
Names & synonyms
ErITCErythrosine isothiocyanateErythrosinisothiocyanate73676-43-4DTXSID20223931Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-6-isothiocyanato-, disodium saltRefChem:137809DTXCID50146422erythrosin-isothiocyanateSCHEMBL29576696KPBGWWXVWRSIAY-UHFFFAOYSA-LDisodium 2',4',5',7'-tetraiodo-6-isothiocyanato-3-oxo-3H-spiro[[2]benzofuran-1,9'-xanthene]-3',6'-bis(olate)
Database identifiers
- CAS
73676-43-4- PubChem CID
- 188262
- DTXSID
DTXSID20223931
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 796
Related reactions
3 records
Compound notes
Loading…