Consensus flow list

Cinidon ethyl

fo-c0c050f0863c58d3

Identity

Type
NeutralMolecule
CAS
142891-20-1
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
23 across every transformer

Structure

Structure diagram for Cinidon ethyl

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

What it is used for

2

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
herbicide CHEBI:24527 A substance used to destroy plant pests. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NNKKTZOEKDFTBU-YBEGLDIGSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H17Cl2NO4/c1-2-26-19(25)16(21)10-11-9-12(7-8-15(11)20)22-17(23)13-5-3-4-6-14(13)18(22)24/h7-10H,2-6H2,1H3/b16-10-
Isomeric SMILES string chemrof:isomeric_smiles_string CCOC(=O)/C(Cl)=C/c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl
IUPAC name chemrof:IUPAC_name ethyl (2Z)-2-chloro-3-[2-chloro-5-(1,3-dioxo-1,3,4,5,6,7-hexahydro-2H-isoindol-2-yl)phenyl]acrylate
Molecular formula chemrof:molecular_formula C19H17Cl2NO4
Molecular mass chemrof:molecular_mass 394.254
Monoisotopic mass chemrof:monoisotopic_mass 393.053463
SMILES string chemrof:smiles_string CCOC(=O)C(Cl)=Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl

Known URLs

14

Where 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=142891-20-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63927 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.583 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1036753 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/KXK8669936 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.131.608E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.334.168K enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=63051 enrich_references.pubchem_identifier_url
patent patent:DE3603789 enrich_references.chebi_xrefs
patent patent:US5062884 enrich_references.chebi_xrefs
ppdb ppdb:162 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5851439 enrich_references.pubchem_compound
reaxys reaxys:8446817 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2392858 enrich_references.pubchem_identifier_url

Elementary flows

7
Flow Context Source Unit CFs
9fc06b0a61cc6df5c0212babbc4750818d005bae Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
a024a66b54809375917259a979663a91b5886f0c Environmental → Air → Unknown ecoinvent algorithm addition kg 0
99330979-ba35-4ca9-937d-159f8f20b9b9 Environmental → Ground → Agricultural EF 3.1 kg 0
26a550ffd1667195409362322bc3a8bdcf1ff1dc Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a8ad5a4b1364bd2a90a689c2cdc44f17691692ff Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
4bfd7ada51c933c04212b2f432a95292c11328a4 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
4c61f22635d13ace358a46589affdc58e7fda21f Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (23 changes)

Open the changes page

Full record

Flow object JSON 
{
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