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Dichlorostannane

UUID 616e3b1f-6474-470a-a863-e56e1237a10d
Flow Object IDfo-27d10c0208bcfb66
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 7772-99-8
EC Numbers 231-868-0
prefLabel
Language Value Provenance
en Dichlorostannane
altLabel ⓘ
Language Value Provenance
en SnCl2
en dichloridotin
en dichloro-lambda(2)-stannane
en lambda(2)-tin(2+) dichloride
en stannous chloride (anh.)
en stannous chloride (anhydrous)
en stannous dichloride
en stannous dichloride (anhydrous)
en tin dichloride
en tin dichloride (anh.)
en tin dichloride (anhydrous)
en tin protochloride
en tin(2+) chloride (anhydrous)
en tin(II) chloride
en tin(II) chloride (anh.)
en tin(II) chloride (anhydrous)
en C.I. 77864
en Dichlorotin
en Niklad 261
en Stannous chloride
en Stannum dichloride
en Tin chloride
en Tin chloride (SnCl<sub>2</sub>)
en Tin dichloride (SnCl<sub>2</sub>)
en Uniston CR-HT 200
en Tin(ii) Chloride (1:2)
Definitions
Language Value Provenance
en An inorganic chloride that has formula Cl2Sn.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey AXZWODMDQAVCJE-UHFFFAOYSA-L
InChI InChI=1S/2ClH.Sn/h2*1H;/q;;+2/p-2
IUPAC name stannous dichloride, tin(2+) dichloride
Molecular formula 2Cl.Sn, Cl2Sn
Molecular mass 189.617
Monoisotopic mass 189.8399
SMILES [Cl-].[Cl-].[Sn+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 616e3b1f-6474-470a-a863-e56e1237a10d tin(ii) chloride (1:2)

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tin(ii) chloride (1:2) Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=tin(ii)chloride(1:2)||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=7772-99-8; added Common Chemistry CAS names as altLabel: C.I. 77864, Dichlorotin, Niklad 261, Stannous chloride, Stannum dichloride, Tin chloride, Tin chloride (SnCl<sub>2</sub>), Tin dichloride (SnCl<sub>2</sub>), Uniston CR-HT 200; object_uuid=fo-27d10c0208bcfb66
cas_match_labels 1 — consensus_match group_key=tin(ii)chloride(1:2)||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7772-99-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-27d10c0208bcfb66: {'7772-99-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'SnCl2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SnCl2', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloridotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloridotin', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloro-lambda(2)-stannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloro-lambda(2)-stannane', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichlorostannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichlorostannane', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'lambda(2)-tin(2+) dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:lambda(2)-tin(2+) dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous chloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous chloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous dichloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous dichloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin protochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin protochloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(2+) chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(2+) chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'SnCl2', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:SnCl2', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloridotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloridotin', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichloro-lambda(2)-stannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichloro-lambda(2)-stannane', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dichlorostannane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dichlorostannane', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'lambda(2)-tin(2+) dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:lambda(2)-tin(2+) dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous chloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous chloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'stannous dichloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:stannous dichloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin dichloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin dichloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin protochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin protochloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(2+) chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(2+) chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride (anh.)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride (anh.)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'tin(II) chloride (anhydrous)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:tin(II) chloride (anhydrous)', 'http://purl.obolibrary.org/obo/CHEBI_78067', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'C.I. 77864', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dichlorotin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Niklad 261', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Stannous chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Stannum dichloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tin chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tin chloride (SnCl<sub>2</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tin dichloride (SnCl<sub>2</sub>)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Uniston CR-HT 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:7772-99-8', 'https://commonchemistry.cas.org/detail?cas_rn=7772-99-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tin(ii)chloride(1:2)||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=7772-99-8; added Common Chemistry CAS names as altLabel: C.I. 77864, Dichlorotin, Niklad 261, Stannous chloride, Stannum dichloride, Tin chloride, Tin chloride (SnCl<sub>2</sub>), Tin dichloride (SnCl<sub>2</sub>), Uniston CR-HT 200; object_uuid=fo-27d10c0208bcfb66
cas_match_labels None {'7772-99-8': 'exactMatch'} group_key=tin(ii)chloride(1:2)||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7772-99-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-27d10c0208bcfb66: {'7772-99-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "616e3b1f-6474-470a-a863-e56e1237a10d",
  "name": null,
  "cas_numbers": [
    "7772-99-8"
  ],
  "ec_numbers": [
    "231-868-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0017825
    },
    {
      "method_uuid": "dacd48b5-4da5-49aa-aff4-cd5f5495c037",
      "name": "Ecotoxicity, freshwater_inorganics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.0017825
    }
  ],
  "source": "EF 3.1",
  "identifier": "616e3b1f-6474-470a-a863-e56e1237a10d",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_name": "tin(ii) chloride (1:2)",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@value": "Dichlorostannane",
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  "_sources": {
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    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
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      "@value": [
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        "Cl2Sn"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
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      ],
      "rdfs:label": "SMILES",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
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      ],
      "rdfs:label": "InChI",
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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