Consensus flow list

Identity

Type
Neutral molecule
CAS
52303-69-2
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Propanedioic Acid, 1,3-dithiolan-2-ylidene-, Bis

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZFQQZUBSEINSSR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name 2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate
Molecular formula chemrof:molecular_formula C12H18O5S2
Molecular mass chemrof:molecular_mass 306.405
Monoisotopic mass chemrof:monoisotopic_mass 306.059566, 306.05957
SMILES string chemrof:smiles_string CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCC[S+]1[O-]

Known URLs

10

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
beilstein beilstein:4321780 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=52303-69-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6048 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID80897278 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J532.823C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11112 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11112 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53237 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93275 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27107004 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
bdb094f2-31da-480b-b4dc-e4602c6887e2 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f8aa37d3-9179-4dad-a2d2-fbd89b470e7f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e804b2d6-98ca-46d7-896b-a88b2cf6d313 Environmental → Air → Indoor EF 3.1 kg 2
698c52a7-764b-4af7-a9be-49440590dd70 Environmental → Air → Long-term EF 3.1 kg 0
2a4c7650-18e3-4847-8497-6be275f6eb10 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6bd5d65d-99fd-437f-90b7-75b5b8b8f002 Environmental → Air → Unknown EF 3.1 kg 2
248c6ce8-4448-486a-a9a8-bae58c0b3681 Environmental → Ground → Agricultural EF 3.1 kg 2
deb7f626-45a9-4475-9d96-8fe6e25e1593 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6f96c49b-1b1d-4bcd-b180-f6d16667ca18 Environmental → Ground → Unknown EF 3.1 kg 2
0a908491-61cf-4ba1-89af-55d3fc8715fb Environmental → Water → Long-term EF 3.1 kg 0
b72ecd80-ddee-4af3-a0e9-1a3e35efc985 Environmental → Water → Ocean EF 3.1 kg 2
33b71101-0ba1-4971-a101-00ffe0900b91 Environmental → Water → Surface water EF 3.1 kg 2
69f5bfa2-ec84-4c57-bd33-787218d746b1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-93cc44cacbc2b5b1",
  "prefLabel": [
    {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide",
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      "@lang": "en",
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      }
    },
    {
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      }
    },
    {
      "@value": "bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide",
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    },
    {
      "@value": "di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate",
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    },
    {
      "@value": "diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate",
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    },
    {
      "@value": "Isoprothiolane sulfoxide",
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    },
    {
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