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2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

UUID 73f092d3-98ee-4088-817d-44bb2a67c1d5
Deprecated yes
Replaced By 40aa08fd-e8d2-47d9-8c9a-f36863a8d61c
Flow Object IDfo-f894c6745fb5d8a9
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 27107-89-7
EC Numbers 248-227-6
prefLabel
Language Value Provenance
en 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
altLabel ⓘ
Language Value Provenance
en 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester
en Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester
en Mark 21MOK-A
en Mono-n-octylltin tris(2-ethylhexylmercaptoacetate)
en Monooctylltin tris(2-ethylhexylmercaptoacetate)
en Monooctyltin tris(2-ethylhexyl mercaptoacetate)
en Monooctyltin tris(2-ethylhexyl thioglycolate)
en Octyltin tris(2-ethylhexylmercaptoacetate)
en Octyltin tris(2-ethylhexylthioglycolate)
en Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate
References
Shared Properties
Predicate Value
InChIKey PJFIXPQPAAEAEB-UHFFFAOYSA-K, VHKGIWUCVBAITR-UHFFFAOYSA-K
InChI InChI=1S/3C10H20O2S.C8H17.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-3-5-7-8-6-4-2;/h3*9,13H,3-8H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3, InChI=1S/C18H36O2S.2C10H20O2S.Sn/c1-5-9-12-15(8-4)14-20-18(19)17(21)16(11-7-3)13-10-6-2;2*1-3-5-6-9(4-2)7-12-10(11)8-13;/h15-17,21H,5-14H2,1-4H3;2*9,13H,3-8H2,1-2H3;/q;;;+3/p-3
IUPAC name 2-[[bis[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-octyl-stannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[bis[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-octylstannyl]thio]acetic acid 2-ethylhexyl ester, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl]-octyl-stannyl]sulfanylethanoate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl]-octyl-stannyl]sulfanylacetate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-octylstannyl]sulfanylacetate
Molecular formula C38H73O6S3Sn, C38H74O6S3Sn
SMILES CCCCC(CC)COC(=O)CS[Sn](SCC(=O)OCC(CC)CCCC)SC(C(CCC)CCCC)C(=O)OCC(CC)CCCC, CCCCCCCC[Sn](SCC(=O)OCC(CC)CCCC)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 73f092d3-98ee-4088-817d-44bb2a67c1d5 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

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=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=27107-89-7; added Common Chemistry CAS names as altLabel: 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester, Mark 21MOK-A, Mono-n-octylltin tris(2-ethylhexylmercaptoacetate), Monooctylltin tris(2-ethylhexylmercaptoacetate), Monooctyltin tris(2-ethylhexyl mercaptoacetate), Monooctyltin tris(2-ethylhexyl thioglycolate), Octyltin tris(2-ethylhexylmercaptoacetate), Octyltin tris(2-ethylhexylthioglycolate), Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate; object_uuid=fo-f894c6745fb5d8a9
cas_match_labels 1 — consensus_match group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27107-89-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f894c6745fb5d8a9: {'27107-89-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mark 21MOK-A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mono-n-octylltin tris(2-ethylhexylmercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monooctylltin tris(2-ethylhexylmercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monooctyltin tris(2-ethylhexyl mercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monooctyltin tris(2-ethylhexyl thioglycolate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyltin tris(2-ethylhexylmercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Octyltin tris(2-ethylhexylthioglycolate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27107-89-7', 'https://commonchemistry.cas.org/detail?cas_rn=27107-89-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; cas=27107-89-7; added Common Chemistry CAS names as altLabel: 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-octyl-7-oxo-, 2-ethylhexyl ester, Acetic acid, [(octylstannylidyne)trithio]tri-, tris(2-ethylhexyl) ester, Mark 21MOK-A, Mono-n-octylltin tris(2-ethylhexylmercaptoacetate), Monooctylltin tris(2-ethylhexylmercaptoacetate), Monooctyltin tris(2-ethylhexyl mercaptoacetate), Monooctyltin tris(2-ethylhexyl thioglycolate), Octyltin tris(2-ethylhexylmercaptoacetate), Octyltin tris(2-ethylhexylthioglycolate), Tris(2-ethylhexyl) [(octylstannylidyne)trithio]triacetate; object_uuid=fo-f894c6745fb5d8a9
cas_match_labels None {'27107-89-7': 'exactMatch'} group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-octyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'27107-89-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f894c6745fb5d8a9: {'27107-89-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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