Consensus flow list

Dioxobis(stearato)trilead

fo-6e503a1ee6d9696a

Identity

Type
Neutral molecule
CAS
12578-12-0
EC
235-702-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for Dioxobis(stearato)trilead

This substance carries 3 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MGRUUUYHGYWRMN-UHFFFAOYSA-L, VDBIDHFJMXOQTB-UHFFFAOYSA-N, VQWAMPSGOQJXCE-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/2C18H36O2.2O.3Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;/q;;2*-2;3*+2/p-2, InChI=1S/2C18H36O2.2O.3Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;/h2*2-17H2,1H3,(H,19,20);;;;;/q;;;;;2*+1/p-2, InChI=1S/2C18H37.2O.3Pb/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;;;;/h2*1,3-18H2,2H3;;;;;
IUPAC name chemrof:IUPAC_name bis[(1-oxooctadecoxy-lambda2-plumbanyl)oxy]lead, bis[(octadecanoyloxy-lambda2-plumbanyl)oxy]lead, bis[(octadecyl-lambda2-plumbanyl)oxy]lead, bis[(stearoyloxy-lambda2-plumbanyl)oxy]lead, bis[(stearyl-lambda2-plumbanyl)oxy]lead, triplumbous;bis(octadecanoate);bis(oxygen(2-)), triplumbous;bis(oxygen(2-));stearate, tris(lead(2+));bis(octadecanoate);bis(oxygen(2-))
Molecular formula chemrof:molecular_formula C36H70O6Pb3, C36H74O2Pb3
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCC(=O)O[Pb]O[Pb]O[Pb]OC(=O)CCCCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[O-2].[O-2].[Pb+2].[Pb+2].[Pb+2], CCCCCCCCCCCCCCCCCC[Pb]O[Pb]O[Pb]CCCCCCCCCCCCCCCCCC

Known URLs

9

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=12578-12-0 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4029727 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/L0JUQ02JDM enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/122201311 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16683991 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20849331 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126674006 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q126681717 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27896684 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
463f18d5-9765-45ef-a318-1f199ecc3e6f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cc9292d9-6f8e-4ff5-b816-ba91c35ab1f6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
69443a81-d27d-4fd8-bd53-a502a544326f Environmental → Air → Indoor EF 3.1 kg 2
87d191d9-80f2-49d8-85c0-e485f2d8afee Environmental → Air → Long-term EF 3.1 kg 0
acc80948-dfe4-41f2-8f04-b79f031b11fb Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3f8dcd2d-9e9b-4df0-b550-a493a92deb93 Environmental → Air → Unknown EF 3.1 kg 2
fa77f214-3ec3-46f9-98a4-d69dd67da059 Environmental → Ground → Agricultural EF 3.1 kg 2
756a391b-3618-4b25-bdbb-edb90a3d1efd Environmental → Ground → Non-agricultural EF 3.1 kg 2
1b02b2c6-4942-4529-bfe5-19b0716236ef Environmental → Ground → Unknown EF 3.1 kg 2
a3317f85-b00c-415c-a6c3-a690316142e2 Environmental → Water → Long-term EF 3.1 kg 0
790d39b8-02f2-457e-b5a1-4f7763105f81 Environmental → Water → Ocean EF 3.1 kg 2
6f36ae79-3bb4-4a2f-b6f7-4c83aec840a3 Environmental → Water → Surface water EF 3.1 kg 2
3b79f37c-ab12-47b9-8453-960033f1c988 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 
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  ],
  "altLabel": [
    {
      "@value": "Lead, bis(octadecanoato)dioxotri-",
      "@language": "en",
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    {
      "@value": "Lead, dioxobis(stearato)tri-",
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    {
      "@value": "Octadecanoic acid, lead complex",
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