Chlorotrianisene
fo-48c4cbc729cf930c
Identity
- Type
- Neutral molecule
- CAS
- 569-57-3
- EC
- 209-318-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
28- 1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene)
- 1,1′,1′′-(1-Chloro-1-ethenyl-2-ylidene)tris[4-methoxybenzene]
- Anisene
- Benzene, 1,1′,1′′-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-
- Chloortrianisestrol
- Chlorestrolo
- chlorotrianisenum
- Chlorotrianisine
- Chlorotrianizen
- Chlorotris(p-methoxyphenyl)ethylene
- Chlortrianisen
- Chlortrianisestrol
- Chlortrianisoestrolum
- Chlortrianizen
- Clorestrolo
- clorotrianiseno
- Clorotrisin
- Ethylene, chlorotris(p-methoxyphenyl)-
- Hormonisene
- Khlortrianizen
- Merbentul
- Metace
- Rianil
- Tace
- Tace (pharmaceutical)
- Tri-p-anisylchloroethylene
- Trianisylchloroethylene
- Tris(p-methoxyphenyl)chloroethylene
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | BFPSDSIWYFKGBC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C23H21ClO3/c1-25-19-10-4-16(5-11-19)22(17-6-12-20(26-2)13-7-17)23(24)18-8-14-21(27-3)15-9-18/h4-15H,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene) |
| Molecular formula chemrof:molecular_formula | C23H21ClO3 |
| Molecular mass chemrof:molecular_mass | 380.871 |
| Monoisotopic mass chemrof:monoisotopic_mass | 380.11792, 380.117922 |
| SMILES string chemrof:smiles_string | COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 |
Known URLs
27Where 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 |
|---|---|---|
| beilstein | beilstein:1891845 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=569-57-3 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3641 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.008.472 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID1021299 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00269 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00269 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:610 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/610 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10108 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1200761 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6V5034L121 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0014414 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.531E | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/D00269 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/D00269 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-5411 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42664 | enrich_references.pubchem_identifier_url |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65320 | enrich_references.pubchem_identifier_url |
| patent | patent:GB561508 | enrich_references.chebi_xrefs |
| patent | patent:US2430891 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA164768822 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/V2DLZL1WWWD6 | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1200761 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11289 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q5103213 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Chlorotrianisene | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 1645ac9d-72c3-4ceb-9b7b-4cd4b6787b78 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 0 |
| 56014934-4a28-4a5e-8470-fefadd066d83 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 0 |
| f3016da5-a8f3-42f9-8da8-899efe24d368 | Environmental → Air → Indoor | EF 3.1 | kg | 0 |
| b09548a3-8f34-4ed0-922f-447ba63c3876 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 6c0ca3b0-bb69-4a04-88b6-665095d4aac6 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 0 |
| 2b075006-e864-4d37-b564-b4b2f2e9fd67 | Environmental → Air → Unknown | EF 3.1 | kg | 0 |
| 741243e2-2125-4683-ad9a-3f2b63e24f43 | Environmental → Ground → Agricultural | EF 3.1 | kg | 0 |
| 5da5b0ea-a8ce-42af-bd0a-d94481056fff | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 0 |
| df5ab74d-7a9a-49fc-84ea-8652adb5b8ca | Environmental → Ground → Unknown | EF 3.1 | kg | 0 |
| 5bf2a834-4966-4d8c-abf5-499694f36970 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 00c4ecd1-292a-4d3d-ba43-c956e015dbbc | Environmental → Water → Ocean | EF 3.1 | kg | 0 |
| 831a23d8-0ad7-4a50-b935-c62b3033aaa8 | Environmental → Water → Surface water | EF 3.1 | kg | 0 |
| bc1abc25-69ae-4f86-9ecb-066e4bb5e07d | Environmental → Water → Unknown | EF 3.1 | kg | 0 |
History
Everything that changed this substance (56 changes)
Full record
Flow object JSON
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{
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{
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{
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{
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{
"@value": "Ethylene, chlorotris(p-methoxyphenyl)-",
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},
{
"@value": "Hormonisene",
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},
{
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},
{
"@value": "Merbentul",
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{
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},
{
"@value": "Rianil",
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},
{
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{
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},
{
"@value": "Tri-p-anisylchloroethylene",
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},
{
"@value": "Trianisylchloroethylene",
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}
},
{
"@value": "Tris(p-methoxyphenyl)chloroethylene",
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],
"properties": {
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{
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},
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"rdfs:label": "InChI",
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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