Consensus flow list

Identity

Type
Neutral molecule
CAS
38103-06-9
EC
253-781-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MQAHXEQUBNDFGI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C31H20O8/c1-31(2,17-3-7-19(8-4-17)36-21-11-13-23-25(15-21)29(34)38-27(23)32)18-5-9-20(10-6-18)37-22-12-14-24-26(16-22)30(35)39-28(24)33/h3-16H,1-2H3
IUPAC name chemrof:IUPAC_name 5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)
Molecular formula chemrof:molecular_formula C31H20O8
Molecular mass chemrof:molecular_mass 520.493
Monoisotopic mass chemrof:monoisotopic_mass 520.115818
SMILES string chemrof:smiles_string CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1

Known URLs

8

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=38103-06-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.048.875 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3028001 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3560133 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AX6B5HRE2H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J294.591F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/94483 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27274173 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7f00488a-bb75-4d68-8a16-ba6102b7cfbe Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89bb6f87-12f5-4f6d-be78-6e622a6b7471 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
44aa5f8f-5261-4cfd-822e-a62f7be99376 Environmental → Air → Indoor EF 3.1 kg 4
e86fa419-a168-4691-922e-f84be8f5c088 Environmental → Air → Long-term EF 3.1 kg 0
6686f2e7-329d-412c-b1d5-ed9806a00c85 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
42f3acec-13ab-42b0-8c18-072e4fa091ba Environmental → Air → Unknown EF 3.1 kg 4
8412beb0-5511-4791-9569-81e17c9d51b9 Environmental → Ground → Agricultural EF 3.1 kg 4
76f4f29e-e030-4314-b233-2198b21ac743 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d81b0406-a9be-40f6-91dd-1db5a2353bad Environmental → Ground → Unknown EF 3.1 kg 4
1387fffc-6eec-445b-9cd2-21b3b30df778 Environmental → Water → Long-term EF 3.1 kg 0
3956e64e-ec24-4d5c-abd6-cbc6dc088c15 Environmental → Water → Ocean EF 3.1 kg 4
adbb8664-c8c7-4b45-9916-0c6449a228d3 Environmental → Water → Surface water EF 3.1 kg 4
a1e4a081-ceac-4579-b08c-e0e847c64f65 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-58aec3351b6800f2",
  "prefLabel": [
    {
      "@value": "5,5'-[propane-2,2-diylbis(4,1-phenyleneoxy)]bis(2-benzofuran-1,3-dione)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Isobenzofurandione, 5,5′-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=38103-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2-Bis[4-(3,4-dicarboxyphenoxy)phenyl]propane dianhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-(4,4′-Isopropylidenediphenoxy)bisphthalic dianhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-(4,4′-Isopropylidenediphenoxy)diphthalic anhydride",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "4,4′-(4,4′-Isopropylidenediphenoxy)diphthalic dianhydride",
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        ],
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      }
    },
    {
      "@value": "4,4′-(4,4′-Isopropylidenediphenoxybis(phthalic anhydride)",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-(4,4′-Isopropylidenephenoxy)diphthalic anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-[(Isopropylidene)bis(p-phenyleneoxy)]diphthalic dianhydride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-[4,4′-Isopropylidenedi(p-phenyleneoxy)]bis(phthalic anhydride)",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "4,4′-[Isopropylidenebis(p-phenyleneoxy)]diphthalic anhydride",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Bisphenol A diphthalic anhydride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4,4′-Bisphenol A-bisdianhydride",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,5′-[(1-Methylethylidene)bis(4,1-phenyleneoxy)]bis[1,3-isobenzofurandione]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5,5′-[(Isopropylidene)bis(4,1-phenylene)dioxy]bis(1,3-isobenzofurandione)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[4,4′-[Propane-2,2-diylbis(1,4-phenyleneoxy)]diphthalic] acid dianhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BISDA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BisDA 1000",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "BisDA 2000",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bisphenol A dianhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=38103-06-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BPADA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BPAPDA",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "BSAA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "s-BPADA",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ultem DA",
      "@language": "en",
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      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C31H20O8"
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      "attested_by": {
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CC(C)(c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1)c1ccc(Oc2ccc3c(c2)C(=O)OC3=O)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "MQAHXEQUBNDFGI-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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        {
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          ]
        }
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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