Consensus flow list

[({[hydroxy(oxo)zirconio]oxy}carbonyl)oxy]zirconiumoylol

fo-b558ac5cfffe2949

Identity

Type
Chemical salt
CAS
57219-64-4
EC
260-633-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for [({[hydroxy(oxo)zirconio]oxy}carbonyl)oxy]zirconiumoylol

This substance carries 8 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ATOBHHXNLBEYRE-UHFFFAOYSA-N, BSZKBMAGLBURDO-UHFFFAOYSA-J, GBJHVWORLATGIB-UHFFFAOYSA-L, GHOZUGPVPZUHRB-UHFFFAOYSA-J, JOADZWACLWUMON-UHFFFAOYSA-J, PFNWDICSGDFZMW-UHFFFAOYSA-L, WBBGYCZRCJMHEX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/4CH2O3.Zr/c4*2-1(3)4;/h4*(H2,2,3,4);/q;;;;+4/p-4, InChI=1S/CH2O3.2H2O.2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);2*1H2;;;;/q;;;2*-2;2*+4/p-4, InChI=1S/CH2O3.2H2O.2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);2*1H2;;;;/q;;;;;;+2/p-2, InChI=1S/CH2O3.4H2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);4*1H2;;/q;;;;;2*+2/p-4, InChI=1S/CH2O3.4H2O.2Zr/c2-1(3)4;;;;;;/h(H2,2,3,4);4*1H2;;/q;;;;;;+2/p-2, InChI=1S/CH2O3.7H2O.3Zr/c2-1(3)4;;;;;;;;;;/h(H2,2,3,4);7*1H2;;;, InChI=1S/CO2.4O.2Zr/c2-1-3;;;;;;/q;4*-2;2*+4
IUPAC name chemrof:IUPAC_name bis(oxidanylidene)zirconium;zirconium(2+);carbonate;dihydrate, bis(oxygen(2-));bis(zirconium(4+));carbonate;dihydroxide, bis(zirconium(2+));carbonate;dihydroxide;dihydrate, carbon dioxide;tetrakis(oxygen(2-));bis(zirconium(4+)), carbonic acid;zirconium(4+);dicarbonate, carbonic acid;zirconium;heptahydrate, diketozirconium;zirconium(2+);carbonate;dihydrate, dioxozirconium;zirconium(2+);carbonate;dihydrate, hydrogen carbonate;zirconium(4+), zirconium(4+) tetrabicarbonate, zirconium;zirconium(2+);carbonate;tetrahydrate
Molecular formula chemrof:molecular_formula C4H4O12Zr, CH16O10Zr3, CH2O7Zr2, CH4O7Zr2, CH6O7Zr2, CH8O7Zr2, CO6Zr2
SMILES string chemrof:smiles_string C(=O)(O)O.C(=O)(O)O.C(=O)([O-])[O-].C(=O)([O-])[O-].[Zr+4], C(=O)(O)O.O.O.O.O.O.O.O.[Zr].[Zr].[Zr], C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].C(=O)(O)[O-].[Zr+4], C(=O)([O-])[O-].O.O.O.O.[Zr].[Zr+2], C(=O)([O-])[O-].O.O.O=[Zr]=O.[Zr+2], C(=O)([O-])[O-].O.O.[OH-].[OH-].[Zr+2].[Zr+2], C(=O)([O-])[O-].[OH-].[OH-].[O-2].[O-2].[Zr+4].[Zr+4], C(=O)=O.[O-2].[O-2].[O-2].[O-2].[Zr+4].[Zr+4]

Known URLs

11

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=57219-64-4 enrich_references.consensus_cas_link
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JNE0OSD75P enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131675351 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/131676100 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/176446134 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22645944 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22836320 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53304194 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/56846396 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75492751 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q810210 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
282b3d2f-7c56-40e9-88ec-b89e9a8e64fa Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7c7a5c29-0f2d-4718-bfeb-c529891b41cd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
72a10af9-5f87-484f-9ccc-b3f8d197c469 Environmental → Air → Indoor EF 3.1 kg 4
11d471c6-69ac-4464-ae1f-4fe584fcac4a Environmental → Air → Long-term EF 3.1 kg 0
610616f7-5192-4d8a-afec-a9dea4393f3d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
a55dc735-dfa6-4db3-989d-4ed8547e6ddf Environmental → Air → Unknown EF 3.1 kg 4
a1bfd3fb-5df1-4ebb-bf0c-e39f59dc869a Environmental → Ground → Agricultural EF 3.1 kg 4
20d2bedd-56a7-4f5d-8577-43018e9ac7c2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
5c1e3ac8-437e-4731-a6dd-d9047d3ea71b Environmental → Ground → Unknown EF 3.1 kg 4
e4cf53df-859d-46d2-a4cc-f4a7ab9748ef Environmental → Water → Long-term EF 3.1 kg 0
4a5863c3-6419-4402-8fb0-d7731ac3b147 Environmental → Water → Ocean EF 3.1 kg 4
0e08e103-a055-431a-83b5-c863a5bac80d Environmental → Water → Surface water EF 3.1 kg 4
34269fc9-9dd1-46c2-9dc2-6aaba9cfc919 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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      "@value": [
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        "bis(oxygen(2-));bis(zirconium(4+));carbonate;dihydroxide",
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        "carbon dioxide;tetrakis(oxygen(2-));bis(zirconium(4+))",
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        "diketozirconium;zirconium(2+);carbonate;dihydrate",
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