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14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]

fo-5e6ae010f01cb14a

Identity

Type
Neutral molecule
CAS
1231148-36-9
EC
700-609-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string TVPTXQIRARTIHV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C31H24N4O4/c1-5-13-27-23(9-1)32-21-33-24-10-2-6-14-28(24)37-18-31(17-36-27)19-38-29-15-7-3-11-25(29)34-22-35-26-12-4-8-16-30(26)39-20-31/h1-16H,17-20H2
IUPAC name chemrof:IUPAC_name 13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]eicosa-1(20),2,3,5,7,9,16,18-octaene], 13,13'-spirobi[11,15-dioxa-2,4-diazatricyclo[14.4.0.05,10]icosa-1(20),2,3,5,7,9,16,18-octaene]
Molecular formula chemrof:molecular_formula C31H24N4O4
Molecular mass chemrof:molecular_mass 516.557
Monoisotopic mass chemrof:monoisotopic_mass 516.179755
SMILES string chemrof:smiles_string C1C2(COC3=CC=CC=C3N=C=NC4=CC=CC=C4O1)COC5=CC=CC=C5N=C=NC6=CC=CC=C6OC2

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=1231148-36-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.220.648 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID501045044 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.782.360B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/58434418 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126605452 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
172d1aef-7cf7-430f-8b8d-d96d9f20a8ba Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8dd4157d-59ac-4153-ba99-176b10e42389 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
eb911ae0-f3cb-45e3-b8e6-32881c8600c9 Environmental → Air → Indoor EF 3.1 kg 2
972c9dc2-1197-4eff-b11f-b6d7206c2c21 Environmental → Air → Long-term EF 3.1 kg 0
2a298b63-43a8-4964-8971-42f5887172ea Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
636328ac-ba0e-4b87-8e39-0efa6941ddca Environmental → Air → Unknown EF 3.1 kg 2
2e45a58b-7d22-46cc-a277-c20754bd0b6b Environmental → Ground → Agricultural EF 3.1 kg 2
f748286a-19af-4b74-afc1-307598eb5d4f Environmental → Ground → Non-agricultural EF 3.1 kg 2
fe8b2ae3-f55f-481b-b820-972596a825fa Environmental → Ground → Unknown EF 3.1 kg 2
a8114311-fc68-435a-9e38-9b2a2c391b08 Environmental → Water → Long-term EF 3.1 kg 0
478ed3ce-4bd0-46c0-9def-1f1594ca568c Environmental → Water → Ocean EF 3.1 kg 2
15605413-3f92-46b4-bafa-30ff45a88647 Environmental → Water → Surface water EF 3.1 kg 2
67e0fce5-bbff-42b7-9ee3-7d12b0ca2826 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-5e6ae010f01cb14a",
  "prefLabel": [
    {
      "@value": "14,14',15,15'-tetradehydro-7,7'-spirobi[dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′,15,15′-Tetradehydro-7,7′(8H,8′H)-spirobi[1H,6H-dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine]",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "7,7′(8H,8′H)-Spirobi[1H,6H-dibenzo[b,g][1,9,4,6]dioxadiazacyclododecine], 1,1′,15,15′-tetradehydro-",
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}

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