Consensus flow list

Identity

Type
NeutralMolecule
CAS
23911-85-5
EC
424-210-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,2''-dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VZYBFCDYFROPPK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C29H24O7/c30-21(17-35-22-11-13-24(26(31)15-22)28(33)19-7-3-1-4-8-19)18-36-23-12-14-25(27(32)16-23)29(34)20-9-5-2-6-10-20/h1-16,21,30-32H,17-18H2
IUPAC name chemrof:IUPAC_name 2,2''-dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone
Molecular formula chemrof:molecular_formula C29H24O7
Molecular mass chemrof:molecular_mass 484.504
Monoisotopic mass chemrof:monoisotopic_mass 484.152203
SMILES string chemrof:smiles_string O=C(c1ccccc1)c1ccc(OCC(O)COc2ccc(C(=O)c3ccccc3)c(O)c2)cc1O

Known URLs

7

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=23911-85-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.273 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20361327 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL179185 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1242235 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=226957 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q82143614 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d14eadff-7a18-4e54-b479-894ecd8468b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6d5e212a-0765-4036-a689-bb32ba2226fa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a11bc521-c0db-4dec-a86e-32bac2bf69e1 Environmental → Air → Indoor EF 3.1 kg 4
0712758c-5546-4bcd-b38b-0078238c38aa Environmental → Air → Long-term EF 3.1 kg 0
90fbe2c4-67a9-4921-a17f-b00691e7a070 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7eda36a7-0fd2-4993-a5cf-d7605917ffa8 Environmental → Air → Unknown EF 3.1 kg 4
753f4f0c-85d3-44cb-9ec1-4adcd67c958a Environmental → Ground → Agricultural EF 3.1 kg 4
f939ee59-14ba-452d-a573-467aca653b82 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3462cad4-5069-4039-b9e7-3c6d007207e3 Environmental → Ground → Unknown EF 3.1 kg 4
6117f205-b3a5-439b-96eb-fcdc335556ea Environmental → Water → Long-term EF 3.1 kg 0
72b20ebe-b352-45de-9dc6-1954641f00df Environmental → Water → Ocean EF 3.1 kg 4
cf3e8326-d0d8-489c-91c8-a53662d1523f Environmental → Water → Surface water EF 3.1 kg 4
f8bc11f5-1e0e-4e09-91c1-aba07e39277c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e865f27c5af7ecb2",
  "prefLabel": [
    {
      "@value": "2,2''-dihydroxy-4,4''-(2-hydroxy-propane-1,3-diyldioxy)dibenzophenone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1′-[(2-Hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenylmethanone]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=23911-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Bis(4-benzoyl-3-hydroxyphenoxy)-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-di(4-Benzoyl-3-hydroxyphenoxy)-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=23911-85-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzophenone, 4,4′′-[(2-hydroxytrimethylene)dioxy]bis[2-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Methanone, 1,1′-[(2-hydroxy-1,3-propanediyl)bis[oxy(2-hydroxy-4,1-phenylene)]]bis[phenyl-",
      "@language": "en",
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      }
    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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