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

UUID 083581b9-0a86-40cb-8be3-4c293783ea7b
Flow Object IDfo-2ebf3bb6c99f1232
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 57583-34-3
EC Numbers 260-828-5
prefLabel
Language Value Provenance
en 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate
altLabel ⓘ
Language Value Provenance
en 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate
en 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester
en Methyltin tris(2-ethylhexyl mercaptoacetate)
en Methyltin tris(2-ethylhexyl thioglycolate)
en Monomethyltin tris(2-ethylhexyl mercaptoacetate)
References
Shared Properties
Predicate Value
InChIKey ACRNSUGLVQJCOM-UHFFFAOYSA-K, KQRRGHFKTAGWOD-UHFFFAOYSA-N, VLJWWKNAKCCFQO-UHFFFAOYSA-M, YAHBZWSDRFSFOO-UHFFFAOYSA-L
InChI InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2, InChI=1S/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3, InChI=1S/3C10H20O2S.CH3.Sn/c3*1-9(2)6-4-3-5-7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;, InChI=1S/C22H28NO4.HI/c1-23-7-6-14-9-19(24-2)22(27-5)12-17(14)18(23)8-15-10-20(25-3)21(26-4)11-16(15)13-23;/h9-12,18H,6-8,13H2,1-5H3;1H/q+1;/p-1
IUPAC name 2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-7-ium iodide, 2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium iodide, 2-[[[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-dimethyl-stannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-dimethylstannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[bis[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-methyl-stannyl]thio]acetic acid 2-ethylhexyl ester, 2-[[bis[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-methylstannyl]thio]acetic acid 2-ethylhexyl ester, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl-dimethyl-stannyl]sulfanylethanoate, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl-dimethyl-stannyl]sulfanylacetate, 2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dimethylstannyl]sulfanylacetate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl]-methyl-stannyl]sulfanylethanoate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxo-ethyl]sulfanyl]-methyl-stannyl]sulfanylacetate, 2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
Molecular formula C22H28INO4, C22H44O4S2Sn, C31H60O6S3Sn, C31H63O6S3Sn
SMILES CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.C[Sn], CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC, CCCCC(CC)COC(=O)CS[Sn](C)(SCC(=O)OCC(CC)CCCC)SCC(=O)OCC(CC)CCCC, C[N+]12CCC3=CC(=C(C=C3C1CC4=CC(=C(C=C4C2)OC)OC)OC)OC.[I-]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 083581b9-0a86-40cb-8be3-4c293783ea7b 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-ethylhexyl 10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate Emissions/Emissions to soil/Emissions to non-agricultural soil 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=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; cas=57583-34-3; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester, Methyltin tris(2-ethylhexyl mercaptoacetate), Methyltin tris(2-ethylhexyl thioglycolate), Monomethyltin tris(2-ethylhexyl mercaptoacetate); object_uuid=fo-2ebf3bb6c99f1232
cas_match_labels 1 — consensus_match group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-34-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebf3bb6c99f1232: {'57583-34-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57583-34-3', 'https://commonchemistry.cas.org/detail?cas_rn=57583-34-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57583-34-3', 'https://commonchemistry.cas.org/detail?cas_rn=57583-34-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltin tris(2-ethylhexyl mercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57583-34-3', 'https://commonchemistry.cas.org/detail?cas_rn=57583-34-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methyltin tris(2-ethylhexyl thioglycolate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57583-34-3', 'https://commonchemistry.cas.org/detail?cas_rn=57583-34-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monomethyltin tris(2-ethylhexyl mercaptoacetate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:57583-34-3', 'https://commonchemistry.cas.org/detail?cas_rn=57583-34-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; cas=57583-34-3; added Common Chemistry CAS names as altLabel: 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate, 8-Oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-, 2-ethylhexyl ester, Methyltin tris(2-ethylhexyl mercaptoacetate), Methyltin tris(2-ethylhexyl thioglycolate), Monomethyltin tris(2-ethylhexyl mercaptoacetate); object_uuid=fo-2ebf3bb6c99f1232
cas_match_labels None {'57583-34-3': 'exactMatch'} group_key=2-ethylhexyl10-ethyl-4-({2-[(2-ethylhexyl)oxy]-2-oxoethyl}sulfanyl)-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecan-1-oate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'57583-34-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2ebf3bb6c99f1232: {'57583-34-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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        "2,3,10,11-tetramethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium iodide",
        "2-[[[[2-(2-ethylhexoxy)-2-keto-ethyl]thio]-dimethyl-stannyl]thio]acetic acid 2-ethylhexyl ester",
        "2-[[[[2-(2-ethylhexoxy)-2-oxoethyl]thio]-dimethylstannyl]thio]acetic acid 2-ethylhexyl ester",
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        "2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]sulfanyl-dimethyl-stannyl]sulfanylethanoate",
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