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2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester

UUID 04c3b398-2fc2-4b66-8979-3ea0ed147227
Flow Object IDfo-e2b80bb905a38e56
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 379268-96-9
EC Numbers 448-260-8
prefLabel
Language Value Provenance
en 2-hexyl Decanoic Acid [4-(6-tert-butyl-7-chloro-1h- Pyrazolo[1,5-b][1,2,4] Triazol-2-yl) Phenylcarbamoyl] Methylester
altLabel ⓘ
Language Value Provenance
en 2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate
en Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester
en Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester
References
Shared Properties
Predicate Value
InChIKey GNKWZTKPIRTZBI-UHFFFAOYSA-N
InChI InChI=1S/C32H48ClN5O3/c1-6-8-10-12-13-15-17-24(16-14-11-9-7-2)31(40)41-22-26(39)34-25-20-18-23(19-21-25)29-35-30-27(33)28(32(3,4)5)36-38(30)37-29/h18-21,24,36H,6-17,22H2,1-5H3,(H,34,39)
IUPAC name 2-hexylcapric acid [2-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-keto-ethyl] ester, 2-hexyldecanoic acid [2-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] ester, [2-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxo-ethyl] 2-hexyldecanoate, [2-[4-(6-tert-butyl-7-chloro-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-2-oxoethyl] 2-hexyldecanoate, [2-[[4-(6-tert-butyl-7-chloranyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-hexyldecanoate
Molecular formula C32H48ClN5O3
SMILES CCCCCCCCC(CCCCCC)C(=O)OCC(=O)NC1=CC=C(C=C1)C2=NN3C(=N2)C(=C(N3)C(C)(C)C)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 04c3b398-2fc2-4b66-8979-3ea0ed147227 2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-hexyl decanoic acid [4-(6-tert-butyl-7-chloro-1h- pyrazolo[1,5-b][1,2,4] triazol-2-yl) phenylcarbamoyl] methylester Emissions/Emissions to water/Emissions to fresh water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; cas=379268-96-9; added Common Chemistry CAS names as altLabel: 2-[[4-[7-Chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl 2-hexyldecanoate, Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-1<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester, Decanoic acid, 2-hexyl-, 2-[[4-[7-chloro-6-(1,1-dimethylethyl)-3<em>H</em>-pyrazolo[1,5-<em>b</em>][1,2,4]triazol-2-yl]phenyl]amino]-2-oxoethyl ester; object_uuid=fo-e2b80bb905a38e56
cas_match_labels 1 — consensus_match group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'379268-96-9': []}; assigned CAS labels from group consensus; object_uuid=fo-e2b80bb905a38e56: {'379268-96-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
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cas_match_labels None {'379268-96-9': 'exactMatch'} group_key=2-hexyldecanoicacid[4-(6-tert-butyl-7-chloro-1h-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenylcarbamoyl]methylester||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'379268-96-9': []}; assigned CAS labels from group consensus; object_uuid=fo-e2b80bb905a38e56: {'379268-96-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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