Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)

Benzenesulfonic acid, 3-nitro-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]-, calcium salt (2:1)
Benzenesulfonic acid, 3-nitro-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-, calcium salt (2:1)
C.I. Pigment Yellow 61
Graphtol Yellow 3GL
Helio Fast Yellow Toner 6B
Irgalite Yellow WSC
Irgalite Yellow WSG
Irgaplast Yellow GL
Pigment yellow 61

Property	Value
InChI2D key string chemrof:inchi2d_key_string	NUDAAUOTGJRJQC-UHFFFAOYSA-J, PAPAOCJMDAFEQR-UHFFFAOYSA-N, VWDVUHHOWAILLC-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string	InChI=1S/2C16H14N4O7S.Ca/c21-10(21)15(16(22)17-11-5-3-2-4-6-11)19-18-13-8-7-12(28(25,26)27)9-14(13)20(23)24;/h22-9,15H,1H3,(H,17,22)(H,25,26,27);/q;;+2/p-2
IUPAC name chemrof:IUPAC_name	Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)
Molecular formula chemrof:molecular_formula	C32H26CaN8O14S2, C32H28CaN8O14S2, C64H52CaN16O28S4-2
SMILES string chemrof:smiles_string	CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1.CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1.[Ca+2]

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=12286-65-6	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.032.312	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID70890677	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.654I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/129893715	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/138395922	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/44145290	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q126611936	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q82870377	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
343341fa-d331-4bb9-aeed-bc7464aea7ea	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
f52943e7-598e-4792-933e-04d2213f0ff7	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
f6619bbc-dfa5-482e-9fcc-849d62f59a45	Environmental → Air → Indoor	EF 3.1	kg	4
ff3f2913-72d0-443a-925f-a1d76aeefdfa	Environmental → Air → Long-term	EF 3.1	kg	0
57f26732-5bd7-4592-9c80-86970c5b6a3a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
e5f3aa71-88d7-488e-857d-9929d1185456	Environmental → Air → Unknown	EF 3.1	kg	4
2d20c3d0-7cb3-4b7a-a9d4-21d3e84b87b1	Environmental → Ground → Agricultural	EF 3.1	kg	4
cda784fe-52b9-4eb3-8484-46b8f2b17d1b	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
506ba460-1300-4d93-8e6f-5c9709e13ee5	Environmental → Ground → Unknown	EF 3.1	kg	4
f91fcec5-9f58-4cf1-a8ec-3697dc601af5	Environmental → Water → Long-term	EF 3.1	kg	0
6f067b82-b685-4afe-b43d-f1c3fc746301	Environmental → Water → Ocean	EF 3.1	kg	4
2cbd5376-2668-4e2e-b729-ac14204ed30c	Environmental → Water → Surface water	EF 3.1	kg	4
6f4a9c2f-44de-473a-9aa8-9206f3927703	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

Calcium Bis(3-nitro-4-{[2-oxo-1-(phenylcarbamoyl)propyl]diazenyl}benzenesulfonate)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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