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Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

UUID 7c20e12e-f1fd-45a1-826a-79a35f4d0415
Flow Object IDfo-2cc36e88014480a8
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 68109-88-6
EC Numbers 268-500-3
prefLabel
Language Value Provenance
en Ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
altLabel ⓘ
Language Value Provenance
en 2-Butenedioic acid, 1,1′-(dioctylstannylene) 4,4′-diethyl ester
en 3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester
References
Shared Properties
Predicate Value
InChIKey DRZLVZYYZKVLCK-SEYKUYGWSA-L, DRZLVZYYZKVLCK-UHFFFAOYSA-L
InChI InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2, InChI=1S/2C8H17.2C6H8O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-2-10-6(9)4-3-5(7)8;/h2*1,3-8H2,2H3;2*3-4H,2H2,1H3,(H,7,8);/q;;;;+2/p-2/b;;2*4-3+;
IUPAC name (E)-2-butenedioic acid O4-[[(E)-4-ethoxy-1,4-dioxobut-2-enoxy]-dioctylstannyl] ester O1-ethyl ester, (E)-but-2-enedioic acid O4-[[(E)-4-ethoxy-4-keto-but-2-enoyl]oxy-dioctyl-stannyl] ester O1-ethyl ester, 2-butenedioic acid O4-[(4-ethoxy-1,4-dioxobut-2-enoxy)-dioctylstannyl] ester O1-ethyl ester, 4-O-[(4-ethoxy-4-oxobut-2-enoyl)oxy-dioctylstannyl] 1-O-ethyl but-2-enedioate, 4-O-[[(E)-4-ethoxy-4-oxobut-2-enoyl]oxy-dioctylstannyl] 1-O-ethyl (E)-but-2-enedioate, O4-[(4-ethoxy-4-oxidanylidene-but-2-enoyl)oxy-dioctyl-stannyl] O1-ethyl but-2-enedioate, O4-[(4-ethoxy-4-oxo-but-2-enoyl)oxy-dioctyl-stannyl] O1-ethyl but-2-enedioate, O4-[[(E)-4-ethoxy-4-oxidanylidene-but-2-enoyl]oxy-dioctyl-stannyl] O1-ethyl (E)-but-2-enedioate, O4-[[(E)-4-ethoxy-4-oxo-but-2-enoyl]oxy-dioctyl-stannyl] O1-ethyl (E)-but-2-enedioate, but-2-enedioic acid O4-[(4-ethoxy-4-keto-but-2-enoyl)oxy-dioctyl-stannyl] ester O1-ethyl ester
Molecular formula C28H48O8Sn
SMILES CCCCCCCC[Sn](CCCCCCCC)(OC(=O)C=CC(=O)OCC)OC(=O)C=CC(=O)OCC, CCCCCCCC[Sn](OC(=O)/C=C/C(=O)OCC)(OC(=O)/C=C/C(=O)OCC)CCCCCCCC, CCCCCCC[CH2].CCCCCCC[CH2].CCOC(=O)/C=C/C(=O)[O-].CCOC(=O)/C=C/C(=O)[O-].[Sn+2], CCCCCCC[CH2].CCCCCCC[CH2].CCOC(=O)C=CC(=O)[O-].CCOC(=O)C=CC(=O)[O-].[Sn+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7c20e12e-f1fd-45a1-826a-79a35f4d0415 ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 ethyl 9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate Emissions/Emissions to water/Emissions to water, unspecified kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=ethyl9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate||dimension=Environmental > media=Ground > geography=Unknown; cas=68109-88-6; added Common Chemistry CAS names as altLabel: 2-Butenedioic acid, 1,1′-(dioctylstannylene) 4,4′-diethyl ester, 3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester; object_uuid=fo-2cc36e88014480a8
cas_match_labels 1 — consensus_match group_key=ethyl9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68109-88-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2cc36e88014480a8: {'68109-88-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Butenedioic acid, 1,1′-(dioctylstannylene) 4,4′-diethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68109-88-6', 'https://commonchemistry.cas.org/detail?cas_rn=68109-88-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:68109-88-6', 'https://commonchemistry.cas.org/detail?cas_rn=68109-88-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=ethyl9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate||dimension=Environmental > media=Ground > geography=Unknown; cas=68109-88-6; added Common Chemistry CAS names as altLabel: 2-Butenedioic acid, 1,1′-(dioctylstannylene) 4,4′-diethyl ester, 3,8,10-Trioxa-9-stannatetradeca-5,12-dien-14-oic acid, 9,9-dioctyl-4,7,11-trioxo-, ethyl ester; object_uuid=fo-2cc36e88014480a8
cas_match_labels None {'68109-88-6': 'exactMatch'} group_key=ethyl9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'68109-88-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2cc36e88014480a8: {'68109-88-6': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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}