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Nitrothal-isopropyl

UUID eb09897b-a047-4d98-b35e-ba4c7e0cc441
Deprecated yes
Replaced By 9a821572-491f-4ee3-a992-aaac92c0d580
Flow Object IDfo-548e32aa16ead529
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 10552-74-6
EC Numbers 234-139-5
prefLabel ⓘ
Language Value Provenance
en Nitrothal-isopropyl
altLabel ⓘ
Language Value Provenance
en 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester
en 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester
en Isophthalic acid, 5-nitro-, diisopropyl ester
en Pallitop
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VJAWBEFMCIINFU-UHFFFAOYSA-N
InChI InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3
IUPAC name 5-nitrobenzene-1,3-dicarboxylic acid diisopropyl ester, 5-nitrobenzene-1,3-dicarboxylic acid dipropan-2-yl ester, diisopropyl 5-nitrobenzene-1,3-dicarboxylate, dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate
Molecular formula C14H17NO6
Molecular mass 295.291
Monoisotopic mass 295.10559
SMILES CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C, CC(C)OC(=O)c1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 eb09897b-a047-4d98-b35e-ba4c7e0cc441 diisopropyl 5-nitroisophthalate

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=10552-74-6; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester, Isophthalic acid, 5-nitro-, diisopropyl ester, Pallitop; object_uuid=fo-548e32aa16ead529
cas_match_labels 1 — consensus_match group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10552-74-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548e32aa16ead529: {'10552-74-6': 'exactMatch'}
prefLabel 1 — consensus_match cas=10552-74-6; cc_chebi_agreed_name='Nitrothal-isopropyl'; object_uuid=fo-548e32aa16ead529

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Diisopropyl 5-nitroisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Nitrothal-isopropyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:10552-74-6'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=10552-74-6; cc_chebi_agreed_name='Nitrothal-isopropyl'; object_uuid=fo-548e32aa16ead529
altLabel None [{'@value': 'Diisopropyl 5-nitroisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=10552-74-6; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-548e32aa16ead529
altLabel [{'@value': 'Diisopropyl 5-nitroisophthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:10552-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=10552-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:10552-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=10552-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isophthalic acid, 5-nitro-, diisopropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:10552-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=10552-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pallitop', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:10552-74-6', 'https://commonchemistry.cas.org/detail?cas_rn=10552-74-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=10552-74-6; added Common Chemistry CAS names as altLabel: 1,3-Benzenedicarboxylic acid, 5-nitro-, 1,3-bis(1-methylethyl) ester, 1,3-Benzenedicarboxylic acid, 5-nitro-, bis(1-methylethyl) ester, Isophthalic acid, 5-nitro-, diisopropyl ester, Pallitop; object_uuid=fo-548e32aa16ead529
cas_match_labels None {'10552-74-6': 'exactMatch'} group_key=diisopropyl5-nitroisophthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10552-74-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-548e32aa16ead529: {'10552-74-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "cas_match_labels": {
    "10552-74-6": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:9a821572-491f-4ee3-a992-aaac92c0d580",
  "is_replaced_by_uuid": "9a821572-491f-4ee3-a992-aaac92c0d580",
  "flow_object_id": "fo-548e32aa16ead529"
}