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Barium Neodecanoate

Flow Object IDfo-572e42b19b3a79a3
TypeConsensus
prefLabel
Label Language
Barium Neodecanoate en
Alt Labels
Label Language Provenance
Neodecanoic acid, barium salt en —
Neodecanoic acid, barium salt (2:1) en —
CAS Numbers55172-98-0
EC Numbers259-509-3
Changes Applied26

Properties

Predicate Value
InChIKey CJLKLWVNWFVXOI-UHFFFAOYSA-L, QJFWQPOUERXNAS-UHFFFAOYSA-L, RKGNDHKEOIXFST-UHFFFAOYSA-N, ROSHGJWNZDDJFF-UHFFFAOYSA-L, ZHJXIXXWMBEOSM-UHFFFAOYSA-L
InChI InChI=1S/2C10H20O2.Ba/c2*1-10(2,3)8-6-4-5-7-9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2, InChI=1S/2C10H20O2.Ba/c2*1-4-5-6-7-8-10(2,3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2, InChI=1S/2C10H20O2.Ba/c2*1-4-6-7-8-10(3,5-2)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2, InChI=1S/2C10H20O2.Ba/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2, InChI=1S/C9H14N6S/c1-7-8(15-6-14-7)4-16-3-2-12-9(11)13-5-10/h6H,2-4H2,1H3,(H,14,15)(H3,11,12,13)
IUPAC name 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine, 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]guanidine, barium(2+);bis(2,2-dimethylcaprylate), barium(2+);bis(2,2-dimethyloctanoate), barium(2+);bis(2-ethyl-2-methyl-enanthate), barium(2+);bis(2-ethyl-2-methyl-heptanoate), barium(2+);bis(2-ethyl-2-methylheptanoate), barium(2+);bis(3,3,5,5-tetramethylhexanoate), barium(2+);bis(7,7-dimethylcaprylate), barium(2+);bis(7,7-dimethyloctanoate)
Molecular formula C20H38BaO4, C9H14N6S
SMILES CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Ba+2], CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ba+2], CC1=C(N=CN1)CSCCN=C(N)NC#N, CCCCCC(C)(CC)C(=O)[O-].CCCCCC(C)(CC)C(=O)[O-].[Ba+2], CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Ba+2]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
a619e1f0… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
d9ae2bd5… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
0ebf5de4… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
0cc20896… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
3411a125… EF 3.1 kg Environmental → Air → Unknown 2 2
8bc2cb38… EF 3.1 kg Environmental → Air → Unknown 2 2
6fd4eb9b… EF 3.1 kg Environmental → Ground → Agricultural 2 2
1cd37173… EF 3.1 kg Environmental → Ground → Unknown 2 2
488c7c34… EF 3.1 kg Environmental → Water → Ocean 2 2
6f56b895… EF 3.1 kg Environmental → Water → Surface water 2 2
681ecc20… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0cc20896… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
0cc20896… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
0ebf5de4… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
0ebf5de4… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
1cd37173… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
1cd37173… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
3411a125… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
3411a125… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
3f79a1d3… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
3f79a1d3… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
488c7c34… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
488c7c34… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
681ecc20… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
681ecc20… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
6f56b895… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
6f56b895… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
6fd4eb9b… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
6fd4eb9b… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
8bc2cb38… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
8bc2cb38… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
a619e1f0… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
a619e1f0… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
d314ba51… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
d314ba51… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}
d9ae2bd5… altLabel — [{"@value":"Neodecanoic acid, barium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Neodecanoic acid, barium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:55172-98-0","https://commonchemistry.cas.org/detail?cas_rn=55172-98-0"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=55172-98-0; added Common Chemistry CAS names as altLabel: Neodecanoic acid, barium salt, Neodecanoic acid, barium salt (2:1); object_uuid=fo-572e42b19b3a79a3
d9ae2bd5… cas_match_labels — {"55172-98-0":"exactMatch"} group_key=bariumneodecanoate||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory', 'pubchem']; cas_sources={'55172-98-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-572e42b19b3a79a3: {'55172-98-0': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-572e42b19b3a79a3",
  "prefLabel": [
    {
      "@value": "Barium Neodecanoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Neodecanoic acid, barium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "altLabel"
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    },
    {
      "@value": "Neodecanoic acid, barium salt (2:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C20H38BaO4",
        "C9H14N6S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:108681",
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "CJLKLWVNWFVXOI-UHFFFAOYSA-L",
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        "ROSHGJWNZDDJFF-UHFFFAOYSA-L",
        "ZHJXIXXWMBEOSM-UHFFFAOYSA-L"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Ba+2]",
        "CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ba+2]",
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