Consensus flow list

Benzene-1,2,4,5-tetracarboxylic Acid, Compound With 4,5-dihydro-2-phenyl-1h-imidazole (1:2)

fo-489fe5ee62903539

Identity

Type
Molecular complex
CAS
54553-91-2
EC
259-226-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Benzene-1,2,4,5-tetracarboxylic Acid, Compound With 4,5-dihydro-2-phenyl-1h-imidazole (1:2)

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XSMMIZPIWZYHNL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6O8.2C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;2*1-2-4-8(5-3-1)9-10-6-7-11-9/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);2*1-5H,6-7H2,(H,10,11)
IUPAC name chemrof:IUPAC_name Benzene-1,2,4,5-tetracarboxylic Acid, Compound With 4,5-dihydro-2-phenyl-1h-imidazole (1:2)
Molecular formula chemrof:molecular_formula C28H26N4O8
Molecular mass chemrof:molecular_mass 546.536
Monoisotopic mass chemrof:monoisotopic_mass 546.175064
SMILES string chemrof:smiles_string O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1.c1ccc(C2=NCCN2)cc1

Known URLs

6

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=54553-91-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.823 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3068964 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FPE2N9WHD6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162752 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72505024 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9fc7a968-c004-4315-8fe6-8d44dbcc11a5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
191a741d-2c22-4bca-b722-bd8369eb4c19 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cb1b72fb-5261-45ef-9674-1919f1c6b8cc Environmental → Air → Indoor EF 3.1 kg 2
15b1a14b-8a59-49a0-bee4-a8427c883282 Environmental → Air → Long-term EF 3.1 kg 0
9a09940b-298a-4d62-afb9-46ab7e1070b4 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
88d4e1f4-4adb-47e4-9c91-85f64f702880 Environmental → Air → Unknown EF 3.1 kg 2
6913f269-d50b-4d91-a13a-c0d037defb7b Environmental → Ground → Agricultural EF 3.1 kg 2
6302718e-79e6-4340-82d6-d5a5374e7fdb Environmental → Ground → Non-agricultural EF 3.1 kg 2
beaaaa7b-c8c1-413f-a1d8-acb20dcec60f Environmental → Ground → Unknown EF 3.1 kg 2
f1d07621-39f1-4931-8d60-f0e22464b7ab Environmental → Water → Long-term EF 3.1 kg 0
acf2b00c-75a1-431d-aa2e-2ef413034f82 Environmental → Water → Ocean EF 3.1 kg 2
7dfd077d-7b2a-4aee-bdb8-f47a7c2f1af3 Environmental → Water → Surface water EF 3.1 kg 2
21790583-da26-4ea1-b69a-c85dbbbc2ac1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "1,2,4,5-Benzenetetracarboxylic acid, compd. with 4,5-dihydro-2-phenyl-1H-imidazole (1:2)",
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    {
      "@value": "1H-Imidazole, 4,5-dihydro-2-phenyl-, 1,2,4,5-benzenetetracarboxylate (2:1)",
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