Consensus flow list

Bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] Dodecanedioate

fo-7deae39bee7e9fb5

Identity

Type
Neutral molecule
CAS
1482217-03-7
EC
939-042-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] Dodecanedioate

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZHHPLZHAFGMOKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C58H56N6O8/c65-49-39-45(31-33-47(49)57-61-53(41-21-11-7-12-22-41)59-54(62-57)42-23-13-8-14-24-42)69-35-37-71-51(67)29-19-5-3-1-2-4-6-20-30-52(68)72-38-36-70-46-32-34-48(50(66)40-46)58-63-55(43-25-15-9-16-26-43)60-56(64-58)44-27-17-10-18-28-44/h7-18,21-28,31-34,39-40,65-66H,1-6,19-20,29-30,35-38H2
IUPAC name chemrof:IUPAC_name Bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] Dodecanedioate
Molecular formula chemrof:molecular_formula C58H56N6O8
Molecular mass chemrof:molecular_mass 965.12
Monoisotopic mass chemrof:monoisotopic_mass 964.415963
SMILES string chemrof:smiles_string O=C(CCCCCCCCCCC(=O)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1)OCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(O)c1

Known URLs

5

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=1482217-03-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.225.986 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID901020187 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.128.540B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/136798548 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
6f51016c-3b6d-4763-ae14-00a1032487fa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6e133495-6413-4eb0-918e-3903675e7bed Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fc3430b1-9df9-4ba9-b492-876ace53b306 Environmental → Air → Indoor EF 3.1 kg 4
16bf178f-eaaa-4f83-a9d2-ba38fbe13b1f Environmental → Air → Long-term EF 3.1 kg 0
8a2071c2-357a-4b27-ada4-b83b28247f14 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
2fe0b8b4-1468-4dc1-aad5-d2a4aebc4d13 Environmental → Air → Unknown EF 3.1 kg 4
80b966b8-5a81-4684-a6d4-40a28c451255 Environmental → Ground → Agricultural EF 3.1 kg 4
7e5cac23-06cf-4a53-98be-f9d17d73a971 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a03051f2-3027-49bf-9dd3-7901b9d1501f Environmental → Ground → Unknown EF 3.1 kg 4
774ad038-c09e-4e4d-bdb6-249e07ee82d3 Environmental → Water → Long-term EF 3.1 kg 0
f379b0fe-776a-458a-a55b-3475628593b4 Environmental → Water → Ocean EF 3.1 kg 4
5a8ce44e-c706-4f70-b6a0-bda218c15201 Environmental → Water → Surface water EF 3.1 kg 4
8cacbe9f-462d-4733-a162-641460f3a2a0 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-7deae39bee7e9fb5",
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    {
      "@value": "Bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] Dodecanedioate",
      "@language": "en",
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      }
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  ],
  "altLabel": [
    {
      "@value": "1,12-Bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] dodecanedioate",
      "@language": "en",
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      }
    },
    {
      "@value": "Dodecanedioic acid, 1,12-bis[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-hydroxyphenoxy]ethyl] ester",
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}

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