Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate
Everything that changed this flow. Back to the flow
19b9a3ef-9003-47aa-9791-654a26996a1f
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 3 catalogue altLabel value(s): 'C.I. 18792' (registry code), 'K 2270' (grade code), 'PY 183' (grade code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'65212-77-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-62f28b694e0ba74a: {'65212-77-3': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['65212-77-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[174091, 129894320, 135566092, 171990496]; selected_pubchem_cids=[129894320]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 9,494 | bootstrap_labels | prefLabel | — | [{"@value":"calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenes… | Bootstrapped prefLabel from legacy name field |
| 9,495 | bootstrap_labels | name | calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 9,496 | bootstrap_labels | synonyms | ["organic","calcium4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulphonatophenyl)-1h-pyrazol-4-yl]azo]benzenesulpho… | [] | Removed legacy synonyms field in favor of structured labels |
| 53,548 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 53,549 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 216,496 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,325 | normalize_name_case | prefLabel | [{"@value":"calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenes… | [{"@value":"Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenes… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 236,256 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 236,257 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 236,258 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=65212-77-3","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['65212-77-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[174091, 129894320, 135566092, 171990496]; selected_pubchem_cids=[129894320]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 250,922 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | rdkit_pre_consensus from 'CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)O)Cl)Cl)C3=CC(=CC=C3)S(=O)(=O)O.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,751 | consensus_match | altLabel | [] | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4… | group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=65212-77-3; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]diazenyl]-, calcium salt (1:1), Benzenesulfonic acid, 4,5-dichloro-2-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4-yl]azo]-, calcium salt (1:1), C.I. 18792, C.I. Pigment Yellow 183, K 2270, PY 183, Paliotol YW-K 1800, Paliotol Yellow K 1800, Paliotol Yellow K 2270, Pigment Yellow 183, Seramol Yellow XF; object_uuid=fo-62f28b694e0ba74a |
| 264,752 | consensus_match | cas_match_labels | — | {"65212-77-3":"exactMatch"} | group_key=calcium4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory']; cas_sources={'65212-77-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-62f28b694e0ba74a: {'65212-77-3': 'exactMatch'} |
| 276,112 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Calcium 4,5-dichloro-2-{[3-methyl-5-oxo-1-(3-sulfonatophenyl)-4,5-dihydro-1h-pyrazol-4-yl]diazenyl}benzenesulfonate' |
| 282,686 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H12CaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10CaCl… | rdkit_post_consensus from 'CC1=NN(c2cccc(S(=O)(=O)[O-])c2)C(=O)C1N=Nc1cc(Cl)c(Cl)cc1S(=O)(=O)[O-].[Ca+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,912 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10CaCl… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C16H10CaCl… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,242 | strip_catalogue_altlabels | altLabel | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1<em>H</em>-pyrazol-4… | [{"@value":"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diaze… | Removed 3 catalogue altLabel value(s): 'C.I. 18792' (registry code), 'K 2270' (grade code), 'PY 183' (grade code) |
| 307,801 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/19b9a3ef-9003-… | associations resolved on the elementary layer |
| 398,075 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/9494 | prefLabel | ef:agent/bootstrap_labels | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v0 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v1 |
| ef:activity/change/20260821T1554374006150000/9495 | name | ef:agent/bootstrap_labels | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v1 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v2 |
| ef:activity/change/20260821T1554374006150000/9496 | synonyms | ef:agent/bootstrap_labels | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v2 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v3 |
| ef:activity/change/20260821T1554374006150000/53548 | context | ef:agent/default_context_mapping | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v3 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v4 |
| ef:activity/change/20260821T1554374006150000/53549 | context_iri | ef:agent/default_context_mapping | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v4 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v5 |
| ef:activity/change/20260821T1554374006150000/216496 | unit_iri | ef:agent/unit_normalization | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v5 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v6 |
| ef:activity/change/20260821T1554374006150000/223325 | prefLabel | ef:agent/normalize_name_case | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v6 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v7 |
| ef:activity/change/20260821T1554374006150000/236256 | properties | ef:agent/enrich_references | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v7 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v8 |
| ef:activity/change/20260821T1554374006150000/236257 | skos_definition | ef:agent/enrich_references | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v8 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v9 |
| ef:activity/change/20260821T1554374006150000/236258 | references | ef:agent/enrich_references | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v9 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v10 |
| ef:activity/change/20260821T1554374006150000/250922 | properties | ef:agent/rdkit_pre_consensus | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v10 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v11 |
| ef:activity/change/20260821T1554374006150000/264751 | altLabel | ef:agent/consensus_match | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v11 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v12 |
| ef:activity/change/20260821T1554374006150000/264752 | cas_match_labels | ef:agent/consensus_match | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v12 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v13 |
| ef:activity/change/20260821T1554374006150000/276112 | properties | ef:agent/opsin_iupac | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v13 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v14 |
| ef:activity/change/20260821T1554374006150000/282686 | properties | ef:agent/rdkit_post_consensus | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v14 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v15 |
| ef:activity/change/20260821T1554374006150000/286912 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v15 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v16 |
| ef:activity/change/20260821T1554374006150000/289242 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v16 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v17 |
| ef:activity/change/20260821T1554374006150000/307801 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v17 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v18 |
| ef:activity/change/20260821T1554374006150000/398075 | types | ef:agent/link_flows_to_their_substance | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v18 | ef:flow/19b9a3ef-9003-47aa-9791-654a26996a1f/v19 |