Consensus flow list

1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene

fo-f0f51ae32dbc6a70

Identity

Type
NeutralMolecule
CAS
13560-89-9
EC
236-948-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UGQQAJOWXNCOPY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2
IUPAC name chemrof:IUPAC_name 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, 1,6,7,8,9,14,15,16,17,17,18,18-dodecakis(chloranyl)pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
Molecular formula chemrof:molecular_formula C18H12Cl12
Molecular mass chemrof:molecular_mass 653.73
Monoisotopic mass chemrof:monoisotopic_mass 647.720133
SMILES string chemrof:smiles_string C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl

Known URLs

8

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=13560-89-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.033.575 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7027750 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250920 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.771K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/26111 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q5249126 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dechlorane_plus enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4fcd234a-96ef-41cc-a709-aa802590ef6b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
36fb2769-619f-4e34-a102-1f0acaa460ae Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6214764e-3086-42c0-9f40-3a16887cb4f0 Environmental → Air → Indoor EF 3.1 kg 4
ba382e2f-3144-4466-9503-efc6e7e9db54 Environmental → Air → Long-term EF 3.1 kg 0
a93c962d-9f2d-4867-8bab-07458ad734ab Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
65827920-d349-4410-91c0-3704e953660d Environmental → Air → Unknown EF 3.1 kg 4
beeb93fc-6e39-4df1-862d-4d391370655a Environmental → Ground → Agricultural EF 3.1 kg 4
b3acd713-5d99-46d7-b5f9-7901b0b03b99 Environmental → Ground → Non-agricultural EF 3.1 kg 4
77468bfd-8cf0-46ee-9ce8-e289f7b813da Environmental → Ground → Unknown EF 3.1 kg 4
5fdb926b-c561-4160-9454-0f8075668c69 Environmental → Water → Long-term EF 3.1 kg 0
2404c714-cbe7-4565-a5cb-bb3ab1e60f0f Environmental → Water → Ocean EF 3.1 kg 4
0524f188-4844-41e1-9cbe-dce05afaabce Environmental → Water → Surface water EF 3.1 kg 4
099dd8b1-057b-4a56-a1a8-579902154faf Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
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}

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