Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate
Everything that changed this substance, across every flow that resolves to it. Back to the substance
fo-39c41a2d7e75c555
Changes
55| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 3,041 | bootstrap_labels | prefLabel | — | [{"@value":"sodium 3,5-bis(methoxycarbonyl)benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Bootstrapped prefLabel from legacy name field |
| 3,042 | bootstrap_labels | name | sodium 3,5-bis(methoxycarbonyl)benzenesulfonate | — | Purged legacy name field to enforce prefLabel usage |
| 3,043 | bootstrap_labels | synonyms | ["organic","sodiumdimethyl5-sulphonatoisophthalate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 28,092 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 28,093 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-agri | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to agricultural soil |
| 75,288 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 75,289 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 78,610 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 78,611 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 81,800 | 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 |
| 81,801 | 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 |
| 135,398 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 135,399 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 152,072 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 152,073 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified |
| 155,246 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 155,247 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 169,384 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","indoor":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 169,385 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-indr-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, indoor |
| 170,748 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 170,749 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 182,280 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Non-agricultural"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 182,281 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-noag | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to non-agricultural soil |
| 190,262 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 190,263 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 195,394 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 195,395 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 212,320 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 212,321 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 214,354 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,788 | normalize_name_case | prefLabel | [{"@value":"sodium 3,5-bis(methoxycarbonyl)benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | [{"@value":"Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate","@language":"en","source":{"prov:wasGeneratedBy":"bootstra… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 230,100 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 230,101 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 230,102 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.021.436","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['3965-55-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[67310, 226682, 1551097, 23675796, 45157439, 46738045]; selected_pubchem_cids=[45157439]; 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 |
| 249,160 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | rdkit_pre_consensus from 'COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC.[Na]'; added: molecular_mass, monoisotopic_mass |
| 271,745 | consensus_match | altLabel | [] | [{"@value":"1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt","@language":"en","source":{"prov:w… | group_key=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; cas=3965-55-7; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt (1:1), 3,5-Bis(carbomethoxy)benzenesulfonic acid sodium salt, 3,5-Di(carbomethoxy)benzenesulfonic acid sodium salt, 5-Sulfoisophthalic acid dimethyl ester sodium salt, AD 2100, AD 2100T, DM Sip, Dimethyl 5-(sodiosulfo)isophthalate, Dimethyl 5-sulfoisophthalate sodium salt, Dimethyl isophthalate sodium 5-sulfonate, Dimethyl isophthalate-5-sulfonic acid sodium salt, Dimethyl sodium 5-sulfoisophthalate, Dimethyl sulfoisophthalate sodium salt, Isophthalic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt, SIPM, Sodium 3,5-(dimethoxycarbonyl)benzenesulfonate, Sodium 3,5-bis(carbomethoxy)benzenesulfonate, Sodium 3,5-di(carbomethoxy)benzenesulfonate, Sodium 5-sulfoisophthalic acid dimethyl ester, Sodium dimethyl 5-sulfoisophthalate, Sodium dimethyl 5-sulfonatoisophthalate, Ukanol DM Sip; object_uuid=fo-39c41a2d7e75c555 |
| 271,746 | consensus_match | cas_match_labels | — | {"3965-55-7":"exactMatch"} | group_key=sodium3,5-bis(methoxycarbonyl)benzenesulfonate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'3965-55-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39c41a2d7e75c555: {'3965-55-7': 'exactMatch'} |
| 274,276 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Sodium 3,5-bis(methoxycarbonyl)benzenesulfonate' |
| 280,705 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | rdkit_post_consensus from 'COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[O-])c1.[Na+]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,779 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C10H10NaO7… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 287,851 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt","@language":"en","source":{"prov:w… | [{"@value":"1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-dimethyl ester, sodium salt","@language":"en","source":{"prov:w… | Removed 2 catalogue altLabel value(s): 'AD 2100' (grade code), 'AD 2100T' (grade code) |
| 295,090 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/03cb1ca5-d200-… | associations resolved on the elementary layer |
| 318,659 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3a626751-089d-… | associations resolved on the elementary layer |
| 320,319 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3e589b46-8137-… | associations resolved on the elementary layer |
| 321,914 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/440e605c-c50a-… | associations resolved on the elementary layer |
| 348,695 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/90189b83-8a4e-… | associations resolved on the elementary layer |
| 357,059 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/abef2f36-f2bb-… | associations resolved on the elementary layer |
| 358,647 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b137adef-1a86-… | associations resolved on the elementary layer |
| 365,718 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/ca012b6b-8e71-… | associations resolved on the elementary layer |
| 366,400 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/cc3c4316-e3a5-… | associations resolved on the elementary layer |