Tetrasodium 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-1,3,6-naphthalenetrisulfonate
fo-728f6b7c3a4641d8
Identity
- Type
- Chemical salt
- CAS
- 80156-97-4
- EC
- 474-870-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
5- 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4)
- 1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]-, tetrasodium salt
- Reactive Yellow 3R
- Reactive Yellow 4RFN
- Reactive Yellow DF 3KS
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GPFOSZPSWZQQDR-UHFFFAOYSA-J, GPFOSZPSWZQQDR-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C28H24ClN9O16S5.4Na/c29-25-34-27(31-15-1-4-17(5-2-15)55(40,41)8-7-54-59(51,52)53)36-28(35-25)32-16-3-6-20(21(11-16)33-26(30)39)37-38-22-13-19-14(10-24(22)58(48,49)50)9-18(56(42,43)44)12-23(19)57(45,46)47;;;;/h1-6,9-13H,7-8H2,(H3,30,33,39)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H2,31,32,34,35,36);;;;/q;4*+1/p-4 |
| IUPAC name chemrof:IUPAC_name | 1,3,6-Naphthalenetrisulfonic acid, 7-[2-[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-, sodium salt (1:4) |
| Molecular formula chemrof:molecular_formula | C28H20ClN9Na4O16S5, C28H24ClN9Na4O16S5+4 |
| Molecular mass chemrof:molecular_mass | 1026.263, 1030.295 |
| Monoisotopic mass chemrof:monoisotopic_mass | 1024.891085, 1028.920191 |
| SMILES string chemrof:smiles_string | NC(=O)Nc1cc(Nc2nc(Cl)nc(Nc3ccc(S(=O)(=O)CCOS(=O)(=O)[O-])cc3)n2)ccc1N=Nc1cc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
Known URLs
6Where 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=80156-97-4 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.131.799 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID10890398 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/165368069 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/90477207 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91809000 | enrich_references.pubchem_compound |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| ce045aa4-d5d3-4dcb-9bd8-ad67d2bb0a32 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 8d7d1d77-9fc3-4121-a09d-93c143700ae5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 847c89e6-9dc6-4626-b4c9-1755308a7cd7 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 62dfbaba-363d-4e35-ba33-a01dd0ad8161 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ec798ec3-3b64-4bcb-937d-5825c87642bf | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ab693ac6-01b0-4cb6-b9a2-3261aa3d525c | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| af99d6f1-4f8a-4fce-bd54-6ca9ddb0423b | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 23f03e33-5cce-4f1f-a4f5-064f38d6e75a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 571cfbc0-eeca-4fa6-b63f-6c96d44cd117 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 1c6876be-21f4-4880-a1fe-c2d077ce6820 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| cb9644c5-393e-4656-a40a-22c268ea875d | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 19ed5d80-3f03-460f-a7bf-4b174a7e7062 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 5bfd648d-5f37-420e-964f-659652e39b67 | 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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}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "19ed5d80-3f03-460f-a7bf-4b174a7e7062",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "multi_component_ionic",
"reason": "",
"types": [
"https://w3id.org/chemrof/ChemicalSalt"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"80156-97-4"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=80156-97-4"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=80156-97-4"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"474-870-9"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=474-870-9"
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/ChemicalSalt"
]
}
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