Consensus flow list

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

fo-1e3c48d4bf5bd468

Identity

Type
Molecular complex
CAS
54553-90-1
EC
259-224-4
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 (1:1)

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TZBVXASHYYFGHZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6O8.C9H10N2/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;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);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 (1:1)
Molecular formula chemrof:molecular_formula C19H16N2O8
Molecular mass chemrof:molecular_mass 400.343
Monoisotopic mass chemrof:monoisotopic_mass 400.090665
SMILES string chemrof:smiles_string O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)O.c1ccc(C2=NCCN2)cc1

Known URLs

7

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=54553-90-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=54553-91-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.822 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8068963 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EQY2ZSG23G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/108607 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72501985 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
19a6eac4-3e9c-4db5-a6ad-695baa3ad62d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cd3edabe-48d6-4e6c-a200-2bb2a5a31216 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
73461b6a-7562-48ef-8830-e26728f3f9c4 Environmental → Air → Indoor EF 3.1 kg 2
5f779302-d141-43fa-aac9-29e2502e2ff0 Environmental → Air → Long-term EF 3.1 kg 0
96a531f3-3170-4292-b635-ce4be73da109 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
93dfc0d6-ace6-431a-9bf4-54993eed691f Environmental → Air → Unknown EF 3.1 kg 2
8a193273-d6cf-4876-a949-d4ae02f442f8 Environmental → Ground → Agricultural EF 3.1 kg 2
e4ca27cc-230f-40ba-956a-cc9dd709f74e Environmental → Ground → Non-agricultural EF 3.1 kg 2
df9c94cc-bec9-40c9-a0d6-632c9fe062b3 Environmental → Ground → Unknown EF 3.1 kg 2
52736176-d984-4109-8054-005085ea66c1 Environmental → Water → Long-term EF 3.1 kg 0
7fef9ba6-df4b-42eb-9a2a-d70facfd4ccb Environmental → Water → Ocean EF 3.1 kg 2
b097060e-75fd-4cdb-8d51-97d4da43738b Environmental → Water → Surface water EF 3.1 kg 2
036e680d-d279-46f2-bbf4-603421b9bbb4 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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