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cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

UUID 08a91e70-3ddc-11dd-a0a1-0050c2490048
Flow Object IDfo-f13ab5486aa2ba15
Source EF 3.1
Context Environmental → Water → Surface water
CAS Numbers 70124-77-5
EC Numbers 274-322-7
prefLabel
Language Value Provenance
en cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate
altLabel ⓘ
Language Value Provenance
en (+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate
en AC 222705
en Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
en CyBolt
en Flucythrinate I
en Flucythrinate II
en Fluorocythrin
en Pay-Off
en α-Cyano-3-phenoxybenzyl 2-[<em>p</em>-(difluoromethoxy)phenyl]isovalerate
en Flucythrinate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey GBIHOLCMZGAKNG-CGAIIQECSA-N
InChI InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3/t23?,24-/m0/s1
IUPAC name (2S)-2-[4-(difluoromethoxy)phenyl]-3-methyl-butyric acid [cyano-(3-phenoxyphenyl)methyl] ester, (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoic acid [cyano-(3-phenoxyphenyl)methyl] ester, [cyano-(3-phenoxyphenyl)methyl] (2S)-2-[4-(difluoromethoxy)phenyl]-3-methyl-butanoate, [cyano-(3-phenoxyphenyl)methyl] (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate, [cyano-(3-phenoxyphenyl)methyl] (2S)-2-[4-[bis(fluoranyl)methoxy]phenyl]-3-methyl-butanoate
Molecular formula C26H23F2NO4
Molecular mass 451.469
Monoisotopic mass 451.15951
SMILES CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3, CC(C)[C@@H](C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3, CC(C)[C@H](C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-a0a1-0050c2490048 flucythrinate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 flucythrinate Emissions/Emissions to water/Emissions to fresh water 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=flucythrinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70124-77-5; added Common Chemistry CAS names as altLabel: AC 222705, Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, CyBolt, Flucythrinate I, Flucythrinate II, Fluorocythrin, Pay-Off, α-Cyano-3-phenoxybenzyl 2-[<em>p</em>-(difluoromethoxy)phenyl]isovalerate; object_uuid=fo-f13ab5486aa2ba15
cas_match_labels 1 — consensus_match group_key=flucythrinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'70124-77-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f13ab5486aa2ba15: {'70124-77-5': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodySurface water

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate', 'http://purl.obolibrary.org/obo/CHEBI_34763', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate', 'http://purl.obolibrary.org/obo/CHEBI_34763', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate', 'http://purl.obolibrary.org/obo/CHEBI_34763', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:cyano(3-phenoxyphenyl)methyl (2S)-2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate', 'http://purl.obolibrary.org/obo/CHEBI_34763', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'AC 222705', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CyBolt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Flucythrinate I', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Flucythrinate II', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Fluorocythrin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pay-Off', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'α-Cyano-3-phenoxybenzyl 2-[<em>p</em>-(difluoromethoxy)phenyl]isovalerate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:70124-77-5', 'https://commonchemistry.cas.org/detail?cas_rn=70124-77-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=flucythrinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=70124-77-5; added Common Chemistry CAS names as altLabel: AC 222705, Benzeneacetic acid, 4-(difluoromethoxy)-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, CyBolt, Flucythrinate I, Flucythrinate II, Fluorocythrin, Pay-Off, α-Cyano-3-phenoxybenzyl 2-[<em>p</em>-(difluoromethoxy)phenyl]isovalerate; object_uuid=fo-f13ab5486aa2ba15
cas_match_labels None {'70124-77-5': 'exactMatch'} group_key=flucythrinate||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'70124-77-5': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f13ab5486aa2ba15: {'70124-77-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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