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Fluorescent Brightener 28

UUID 69baec36-c75c-4d18-93fe-9a25bf5b1512
Flow Object IDfo-bd6d8a8185590ef2
Source EF 3.1
Context Environmental → Air → Aircraft cruise height
CAS Numbers 4404-43-7
EC Numbers 224-548-7
prefLabel
Language Value Provenance
en Fluorescent Brightener 28
altLabel ⓘ
Language Value Provenance
en 4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid
en 4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid
en 4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid
en C.I. Fluorescent brightening agent 28
en Calcofluor M2R
en Calcofluor White M2R
en 2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
en 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-
en 4,4′-Bis[(4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid
en 4,4′-Bis[2-anilino-4-[bis(hydroxyethyl)amino]-<em>s</em>-triazin-6-ylamino]-2,2′-stilbenedisulfonic acid
en 4,4′-Bis[[4-anilino-6-bis[(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-2,2′-stilbenedisulfonic acid
en Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-
en Phorwite BBH
en 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic Acid]
Definitions
Language Value Provenance
en An organosulfonic acid comprising stilbene having 4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino groups at the 4 and 4'-positions and sulfo groups at the 2- and 2'-positions.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CNGYZEMWVAWWOB-UHFFFAOYSA-N, CNGYZEMWVAWWOB-VAWYXSNFSA-N
InChI InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50), InChI=1S/C40H44N12O10S2/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b12-11+
IUPAC name 5-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid, 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]benzenesulfonic acid, 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid, 5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-s-triazin-2-yl]amino]-2-sulfo-phenyl]vinyl]besylic acid
Molecular formula C40H44N12O10S2
Molecular mass 917.0
Monoisotopic mass 916.27448
SMILES C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O, C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O, [H]C(=C([H])c1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)O)c1ccc(Nc2nc(Nc3ccccc3)nc(N(CCO)CCO)n2)cc1S(=O)(=O)O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 69baec36-c75c-4d18-93fe-9a25bf5b1512 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid]

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonic acid] Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere 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=2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonicacid]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=4404-43-7; added Common Chemistry CAS names as altLabel: 2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid, 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-, 4,4′-Bis[(4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid, 4,4′-Bis[2-anilino-4-[bis(hydroxyethyl)amino]-<em>s</em>-triazin-6-ylamino]-2,2′-stilbenedisulfonic acid, 4,4′-Bis[[4-anilino-6-bis[(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-2,2′-stilbenedisulfonic acid, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, Phorwite BBH; object_uuid=fo-bd6d8a8185590ef2
cas_match_labels 1 — consensus_match group_key=2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonicacid]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory']; cas_sources={'4404-43-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bd6d8a8185590ef2: {'4404-43-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataAircraft cruise height

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': "4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'C.I. Fluorescent brightening agent 28', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:C.I. Fluorescent brightening agent 28', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcofluor M2R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcofluor M2R', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcofluor White M2R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcofluor White M2R', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': "4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ["label:4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-2,2'-stilbenedisulfonic acid", 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'C.I. Fluorescent brightening agent 28', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:C.I. Fluorescent brightening agent 28', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcofluor M2R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcofluor M2R', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Calcofluor White M2R', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Calcofluor White M2R', 'http://purl.obolibrary.org/obo/CHEBI_50010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Bis[(4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Bis[2-anilino-4-[bis(hydroxyethyl)amino]-<em>s</em>-triazin-6-ylamino]-2,2′-stilbenedisulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,4′-Bis[[4-anilino-6-bis[(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-2,2′-stilbenedisulfonic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phorwite BBH', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:4404-43-7', 'https://commonchemistry.cas.org/detail?cas_rn=4404-43-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonicacid]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=4404-43-7; added Common Chemistry CAS names as altLabel: 2,2′-(1,2-Ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid, 2,2′-Stilbenedisulfonic acid, 4,4′-bis[[4-anilino-6-[bis(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-, 4,4′-Bis[(4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl)amino]stilbene-2,2′-disulfonic acid, 4,4′-Bis[2-anilino-4-[bis(hydroxyethyl)amino]-<em>s</em>-triazin-6-ylamino]-2,2′-stilbenedisulfonic acid, 4,4′-Bis[[4-anilino-6-bis[(2-hydroxyethyl)amino]-<em>s</em>-triazin-2-yl]amino]-2,2′-stilbenedisulfonic acid, Benzenesulfonic acid, 2,2′-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, Phorwite BBH; object_uuid=fo-bd6d8a8185590ef2
cas_match_labels None {'4404-43-7': 'exactMatch'} group_key=2,2'-ethene-1,2-diylbis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonicacid]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['chebi', 'ec_inventory']; cas_sources={'4404-43-7': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-bd6d8a8185590ef2: {'4404-43-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "69baec36-c75c-4d18-93fe-9a25bf5b1512",
  "name": null,
  "cas_numbers": [
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  ],
  "ec_numbers": [
    "224-548-7"
  ],
  "context": {
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    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.16117
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.1194e-9
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    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.1194e-9
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    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.16117
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  "source": "EF 3.1",
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      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to air",
          "Emissions to lower stratosphere and upper troposphere"
        ]
      }
    }
  ],
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-air-aicrhe",
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  "properties": {
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      "@value": [
        "C40H44N12O10S2"
      ],
      "rdfs:label": "Molecular formula",
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