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Reaction Products Of 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate With 2,2'-oxy-diethanol And 2-epoxypropane

2D structure
Flow Object IDfo-b23e1054a8b6292f
TypeConsensus
prefLabel
Label Language
Reaction Products Of 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate With 2,2'-oxy-diethanol And 2-epoxypropane en
Alt Labels
Label Language Provenance
1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol en —
CAS Numbers 77098-07-8
EC Numbers 616-436-5
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow29316c3b-7a3a-4b0e-9a07-06e106670cc1

Properties

Predicate Value
InChIKey BLJGXQPGHLLDRO-UHFFFAOYSA-N, IMZKJXAYYSFTTK-UHFFFAOYSA-N
InChI InChI=1S/C8H2Br4O4.C4H10O3.C3H8O2/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;5-1-3-7-4-2-6;1-3(5)2-4/h(H,13,14)(H,15,16);5-6H,1-4H2;3-5H,2H2,1H3, InChI=1S/C9H9Cl2NO/c10-8-2-1-7(5-9(8)11)6-12-3-4-13/h1-2,5-6,13H,3-4H2
IUPAC name 2-(2-hydroxyethoxy)ethanol;propane-1,2-diol;3,4,5,6-tetrabromophthalic acid, 2-(2-hydroxyethyloxy)ethanol;propane-1,2-diol;3,4,5,6-tetrakis(bromanyl)phthalic acid, 2-[(3,4-dichlorobenzylidene)amino]ethanol, 2-[(3,4-dichlorophenyl)methyleneamino]ethanol, 2-[(3,4-dichlorophenyl)methylideneamino]ethanol
Molecular formula C15H20Br4O9, C9H9Cl2NO
Molecular mass 218.083
Monoisotopic mass 217.006119
SMILES C1=CC(=C(C=C1C=NCCO)Cl)Cl, CC(CO)O.C(COCCO)O.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O, OCCN=Cc1ccc(Cl)c(Cl)c1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
29316c3b… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
df93f45e… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
e0fcdd1a… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
e6cba8e3… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
566cffe9… EF 3.1 kg Environmental → Air → Unknown 4 2
bc126c70… EF 3.1 kg Environmental → Air → Unknown 4 2
92ee209c… EF 3.1 kg Environmental → Ground → Agricultural 4 2
5227d93e… EF 3.1 kg Environmental → Ground → Unknown 4 2
a4a77ba4… EF 3.1 kg Environmental → Water → Ocean 4 2
fada8075… EF 3.1 kg Environmental → Water → Surface water 4 2
7a62c345… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
29316c3b… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
29316c3b… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
5227d93e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
5227d93e… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
566cffe9… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
566cffe9… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
6d9fc315… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
6d9fc315… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
7a62c345… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
7a62c345… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
92ee209c… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
92ee209c… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
a4345542… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
a4345542… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
a4a77ba4… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
a4a77ba4… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
bc126c70… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
bc126c70… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
df93f45e… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
df93f45e… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
e0fcdd1a… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
e0fcdd1a… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
e6cba8e3… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
e6cba8e3… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}
fada8075… altLabel — [{"@value":"1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:77098-07-8","https://commonchemistry.cas.org/detail?cas_rn=77098-07-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=77098-07-8; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 3,4,5,6-tetrabromo-, mixed esters with diethylene glycol and propylene glycol; object_uuid=fo-b23e1054a8b6292f
fada8075… cas_match_labels — {"77098-07-8":"exactMatch"} group_key=reactionproductsof3,4,5,6-tetrabromobenzene-1,2-dicarboxylatewith2,2'-oxy-diethanoland2-epoxypropane||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'77098-07-8': []}; assigned CAS labels from group consensus; object_uuid=fo-b23e1054a8b6292f: {'77098-07-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-b23e1054a8b6292f",
  "prefLabel": [
    {
      "@value": "Reaction Products Of 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate With 2,2'-oxy-diethanol And 2-epoxypropane",
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      "@lang": "en",
      "provenance": {
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  "altLabel": [
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  "properties": {
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      "@value": [
        "C15H20Br4O9",
        "C9H9Cl2NO"
      ],
      "rdfs:label": "Molecular formula",
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            "C1=CC(=C(C=C1C=NCCO)Cl)Cl"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "BLJGXQPGHLLDRO-UHFFFAOYSA-N",
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            "C1=CC(=C(C=C1C=NCCO)Cl)Cl"
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    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1=CC(=C(C=C1C=NCCO)Cl)Cl",
        "CC(CO)O.C(COCCO)O.C1(=C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O",
        "OCCN=Cc1ccc(Cl)c(Cl)c1"
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      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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