Basic information
- CAS
10126-87-1- Standard SMILES
CCOc1ccc2c(OS(=O)(=O)[O-])c(-c3sc4cc(OCC)ccc4c3OS(=O)(=O)[O-])sc2c1.[Na+].[Na+]- InChIKey
LXLIHSVHDYSQLO-UHFFFAOYSA-L- Molecular formula
- C20H16Na2O10S4
- Average molar mass
- 590.6 g/mol
- Monoisotopic mass
- 589.94216996
Overview
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Names & identifiers
- Preferred name
- [2,2'-bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt
- IUPAC
- disodium;[6-ethoxy-2-(6-ethoxy-3-sulfonatooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] sulfate
- English name
- disodium 6,6'-diethoxy[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate
- Molecular formula
- C20H18O10S4.2Na
- Molecular weight
- 570.59
Names & synonyms
[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium saltDTXSID1064956(2,2'-Bibenzo(b)thiophene)-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium saltRefChem:550958DTXCID403261310126-87-1C.I. 73336disodium;[6-ethoxy-2-(6-ethoxy-3-sulfonatooxy-1-benzothiophen-2-yl)-1-benzothiophen-3-yl] sulfateSoluble Vat Orange RSolvat Orange RSoledon Orange RTinosol Orange R
Show more names
C.I.Solubilised Vat Orange 5Vat orange 5 solubilized (C.I. 73336)Disodium 6,6'-diethoxy[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulfateDisodium 6,6'-diethoxy[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulfatedisodium 6,6'-diethoxy[2,2'-bibenzo[b]thiophene]-3,3'-diyl disulphate
Sandozol Orange RSolasol Orange RHSoledon Orange HRCibantine Orange RSolindolo Orange RChemisol Orange RFKambosol Orange HRAnthrasol Orange HR
Database identifiers
- CAS
10126-87-1- PubChem CID
- 82371
- DTXSID
DTXSID1064956- EC Number
- 233-348-9
- Nikkaji
- J137.978J
Properties
Computed structural properties
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 801
Physicochemical properties
- EPA Substance Registry System
- 2 · [2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt (10126-87-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: [2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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