2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate

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2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate

UUID 80ba2235-3abc-4d19-9312-cef02100ab9a

Flow Object ID fo-e90f41c05809c2ed

Source EF 3.1

Context Environmental → Water → Ocean

CAS Numbers 15571-58-1

EC Numbers 239-622-4

prefLabel ⓘ

Language	Value	Provenance
`en`	`2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate`

altLabel ⓘ

Language	Value	Provenance
`en`	`17MOK`
`en`	`2-Ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate`
`en`	`8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester`
`en`	`Acetic acid, [(dioctylstannylene)dithio]di-, bis(2-ethylhexyl) ester`
`en`	`Advastab 17MOK`
`en`	`Advastab 17MOL`
`en`	`Bis(2-ethylhexyl thioglycolato)dioctyltin`
`en`	`Bis(2-ethylhexyl) [(dioctylstannylene)dithio]diacetate`
`en`	`CAT 214`
`en`	`Di-n-octyltin bis(2-ethylhexylmercaptoacetate)`
`en`	`Di-n-octyltin bis(2-ethylhexylthioglycolate)`
`en`	`Dioctylltin bis(2-ethylhexylmercaptoacetate)`
`en`	`Dioctyltin bis(2-ethylhexyl thioglycolate)`
`en`	`KS 2000A10`
`en`	`Reatinor 847`
`en`	`Thermolite 895`
`en`	`Tin, bis[(carboxymethyl)thio]dioctyl-, bis(2-ethylhexyl) ester`

References

Shared Properties

Predicate	Value
InChIKey	`VXGIVDFKZKMKQO-UHFFFAOYSA-L`
InChI	`InChI=1S/2C10H20O2S.2C8H17.Sn/c21-3-5-6-9(4-2)7-12-10(11)8-13;21-3-5-7-8-6-4-2;/h29,13H,3-8H2,1-2H3;21,3-8H2,2H3;/q;;;;+2/p-2`
IUPAC name	2-[[[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-dioctyl-stannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-dioctylstannyl]thio]acetic acid 2-ethylhexyl ester, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl-dioctyl-stannyl]sulfanylethanoate, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl-dioctyl-stannyl]sulfanylacetate, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate, dioctyltin(2+);bis(2-(2-ethylhexoxy)-2-keto-ethanethiolate), dioctyltin(2+);bis(2-(2-ethylhexoxy)-2-oxidanylidene-ethanethiolate), dioctyltin(2+);bis(2-(2-ethylhexoxy)-2-oxo-ethanethiolate), dioctyltin(2+);bis(2-(2-ethylhexoxy)-2-oxoethanethiolate)
Molecular formula	`C36H72O4S2Sn`
SMILES	`CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-], CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC, CCCCCCC[CH2].CCCCCCC[CH2].CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].[Sn+2]`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`80ba2235-3abc-4d19-9312-cef02100ab9a`	8-oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	8-oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester	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`	2	`—`	consensus_match	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=15571-58-1; added Common Chemistry CAS names as altLabel: 17MOK, 2-Ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(dioctylstannylene)dithio]di-, bis(2-ethylhexyl) ester, Advastab 17MOK, Advastab 17MOL, Bis(2-ethylhexyl thioglycolato)dioctyltin, Bis(2-ethylhexyl) [(dioctylstannylene)dithio]diacetate, CAT 214, Di-n-octyltin bis(2-ethylhexylmercaptoacetate), Di-n-octyltin bis(2-ethylhexylthioglycolate), Dioctylltin bis(2-ethylhexylmercaptoacetate), Dioctyltin bis(2-ethylhexyl thioglycolate), KS 2000A10, Reatinor 847, Thermolite 895, Tin, bis[(carboxymethyl)thio]dioctyl-, bis(2-ethylhexyl) ester; object_uuid=fo-e90f41c05809c2ed
`cas_match_labels`	1	`—`	consensus_match	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'15571-58-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e90f41c05809c2ed: {'15571-58-1': 'exactMatch'}
`prefLabel`	1	`—`	consensus_match	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=15571-58-1; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1590; pubchem_entropy=3.7464; current_score=4.8790; pubchem_score=4.4564; score_improvement=0.4226; threshold=0.400; min_margin=0.400; object_uuid=fo-e90f41c05809c2ed

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Ocean

Consensus Changes

Field	Old Value	New Value	Comment
`prefLabel`	`[{'@value': '8-oxa-3,5-dithia-4-stannatetradecanoic Acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl Ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}]`	`[{'@value': '2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'name:2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate', 'https://pubchem.ncbi.nlm.nih.gov/compound/9576033'], 'prov:wasDerivedFrom': 'pubchem preferred label selection'}}]`	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=15571-58-1; set prefLabel for unique CAS in context using entropy rule; selected=pubchem; current_entropy=4.1590; pubchem_entropy=3.7464; current_score=4.8790; pubchem_score=4.4564; score_improvement=0.4226; threshold=0.400; min_margin=0.400; object_uuid=fo-e90f41c05809c2ed
`altLabel`	`None`	`[{'@value': '8-oxa-3,5-dithia-4-stannatetradecanoic Acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl Ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=15571-58-1; added current EF name as altLabel when prefLabel differs; object_uuid=fo-e90f41c05809c2ed
`altLabel`	`[{'@value': '8-oxa-3,5-dithia-4-stannatetradecanoic Acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl Ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original EF name retained as altLabel'}}]`	[{'@value': '17MOK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, [(dioctylstannylene)dithio]di-, bis(2-ethylhexyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Advastab 17MOK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Advastab 17MOL', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-ethylhexyl thioglycolato)dioctyltin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(2-ethylhexyl) [(dioctylstannylene)dithio]diacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CAT 214', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di-n-octyltin bis(2-ethylhexylmercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Di-n-octyltin bis(2-ethylhexylthioglycolate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dioctylltin bis(2-ethylhexylmercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dioctyltin bis(2-ethylhexyl thioglycolate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'KS 2000A10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Reatinor 847', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Thermolite 895', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tin, bis[(carboxymethyl)thio]dioctyl-, bis(2-ethylhexyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:15571-58-1', 'https://commonchemistry.cas.org/detail?cas_rn=15571-58-1'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=15571-58-1; added Common Chemistry CAS names as altLabel: 17MOK, 2-Ethylhexyl 10-ethyl-4,4-dioctyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(dioctylstannylene)dithio]di-, bis(2-ethylhexyl) ester, Advastab 17MOK, Advastab 17MOL, Bis(2-ethylhexyl thioglycolato)dioctyltin, Bis(2-ethylhexyl) [(dioctylstannylene)dithio]diacetate, CAT 214, Di-n-octyltin bis(2-ethylhexylmercaptoacetate), Di-n-octyltin bis(2-ethylhexylthioglycolate), Dioctylltin bis(2-ethylhexylmercaptoacetate), Dioctyltin bis(2-ethylhexyl thioglycolate), KS 2000A10, Reatinor 847, Thermolite 895, Tin, bis[(carboxymethyl)thio]dioctyl-, bis(2-ethylhexyl) ester; object_uuid=fo-e90f41c05809c2ed
`cas_match_labels`	`None`	`{'15571-58-1': 'exactMatch'}`	group_key=8-oxa-3,5-dithia-4-stannatetradecanoicacid,10-ethyl-4,4-dioctyl-7-oxo-,2-ethylhexylester\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'15571-58-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-e90f41c05809c2ed: {'15571-58-1': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "80ba2235-3abc-4d19-9312-cef02100ab9a",
  "name": null,
  "cas_numbers": [
    "15571-58-1"
  ],
  "ec_numbers": [
    "239-622-4"
  ],
  "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": 1.3116e-7
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.1083e-9
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 4.1083e-9
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1.3116e-7
    }
  ],
  "source": "EF 3.1",
  "identifier": "80ba2235-3abc-4d19-9312-cef02100ab9a",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
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      "list_version": "3.1",
      "source_flow_uuid": "80ba2235-3abc-4d19-9312-cef02100ab9a",
      "source_flow_name": "8-oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dioctyl-7-oxo-,  2-ethylhexyl ester",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to sea water"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:15571-58-1",
          "name:2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate",
          "https://pubchem.ncbi.nlm.nih.gov/compound/9576033"
        ],
        "prov:wasDerivedFrom": "pubchem preferred label selection"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "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": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C36H72O4S2Sn"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "CID:102059829"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VXGIVDFKZKMKQO-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCC[Sn+2]CCCCCCCC.CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-]",
        "CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC",
        "CCCCCCC[CH2].CCCCCCC[CH2].CCCCC(CC)COC(=O)C[S-].CCCCC(CC)COC(=O)C[S-].[Sn+2]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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