7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic Acid, Sodium Salt
fo-21d0a02e5fb05fd6
Identity
- Type
- Chemical salt
- CAS
- 85536-87-4
- EC
- 287-574-8
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
![Structure diagram for 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic Acid, Sodium Salt](/flow-objects/fo-21d0a02e5fb05fd6/structure.svg)
Alternative labels
2- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-, sodium salt (1:?)
- 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GQYBFALQKPKBPK-UHFFFAOYSA-L |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-15-4-7-17-13(10-15)11-18(36(28,29)30)19(20(17)25)23-22-14-2-5-16(6-3-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2 |
| IUPAC name chemrof:IUPAC_name | 7-acetamido-4-hydroxy-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonic Acid, Sodium Salt |
| Molecular formula chemrof:molecular_formula | C20H17N3Na2O11S3 |
| Molecular mass chemrof:molecular_mass | 617.547 |
| Monoisotopic mass chemrof:monoisotopic_mass | 616.98206 |
| SMILES string chemrof:smiles_string | CC(=O)Nc1ccc2c(O)c(N=Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+] |
Known URLs
5Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=85536-87-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.079.585 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID901335885 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/174475 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126600937 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 33ce1b51-cb56-40cb-8ab6-9cc5fcf9912c | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 66ff7b00-46a0-48f8-b66c-78b794157dd2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 489d2aa3-e2f3-491d-8003-dbf0aa31bb65 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 205c5d45-6d6e-4013-bfe7-4dce1c385de9 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 265e1ca4-8ee0-4fc4-9200-7dc9b875693e | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 3ce3f789-36c2-491a-992f-8473ffd87fab | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| dfce24e7-5b81-4e7f-9cd1-2bb4cf560c5f | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 0417a272-106e-48c1-8c37-96b95eb3eb63 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 281bb03a-ff58-456b-a751-fd6c31bbac5e | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 3d508867-5918-4063-ac6f-7391c303e596 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| dbc03d52-71cf-4e76-9c04-21359e567799 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 3f8ee474-3032-4cae-b879-f46275e3d69d | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 3988ae34-fadd-43ba-96ac-58bbe6bda2a5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works