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2-(ethyloxy)ethyl {[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate

UUID 8450ecad-6aba-4935-9163-555b74acaf54
Flow Object IDfo-2efc932d36c75c85
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 126877-05-2
EC Numbers 403-960-2
prefLabel
Language Value Provenance
en 2-(ethyloxy)ethyl {[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate
altLabel ⓘ
Language Value Provenance
en Acetic acid, [4-(2,6-dihydro-2,6-dioxo-7-phenylbenzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran-3-yl)phenoxy]-, 2-ethoxyethyl ester
en Benzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran, acetic acid deriv.
References
Shared Properties
Predicate Value
InChIKey PDXMFTWFFKBFIN-XPWFQUROSA-N, QGKOHCNUOUEHPK-UHFFFAOYSA-N
InChI InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1, InChI=1S/C28H22O8/c1-2-32-12-13-33-24(29)16-34-19-10-8-18(9-11-19)26-21-15-22-20(14-23(21)36-28(26)31)25(27(30)35-22)17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3
IUPAC name (1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol, (1S,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol, (1S,6R,8R,9R,10S,15R,17R,18R)-8,17-diadenin-9-yl-3,12-dihydroxy-3,12-diketo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecane-9,18-diol, 2-[4-(2,6-diketo-7-phenyl-furo[2,3-f]benzofuran-3-yl)phenoxy]acetic acid 2-ethoxyethyl ester, 2-[4-(2,6-dioxo-7-phenyl-3-furo[2,3-f]benzofuranyl)phenoxy]acetic acid 2-ethoxyethyl ester, 2-ethoxyethyl 2-[4-(2,6-dioxo-7-phenyl-furo[2,3-f]benzofuran-3-yl)phenoxy]acetate, 2-ethoxyethyl 2-[4-(2,6-dioxo-7-phenylfuro[2,3-f][1]benzofuran-3-yl)phenoxy]acetate, 2-ethoxyethyl 2-[4-[2,6-bis(oxidanylidene)-7-phenyl-furo[2,3-f][1]benzofuran-3-yl]phenoxy]ethanoate
Molecular formula C20H24N10O12P2, C28H22O8
SMILES C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O, C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O, CCOCCOC(=O)COC1=CC=C(C=C1)C2=C3C=C4C(=C(C(=O)O4)C5=CC=CC=C5)C=C3OC2=O

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 8450ecad-6aba-4935-9163-555b74acaf54 2-(ethyloxy)ethyl {[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 2-(ethyloxy)ethyl {[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate Emissions/Emissions to air/Emissions to air, 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=2-(ethyloxy)ethyl{[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate||dimension=Environmental > media=Ground > geography=Unknown; cas=126877-05-2; added Common Chemistry CAS names as altLabel: Acetic acid, [4-(2,6-dihydro-2,6-dioxo-7-phenylbenzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran-3-yl)phenoxy]-, 2-ethoxyethyl ester, Benzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran, acetic acid deriv.; object_uuid=fo-2efc932d36c75c85
cas_match_labels 1 — consensus_match group_key=2-(ethyloxy)ethyl{[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'126877-05-2': []}; assigned CAS labels from group consensus; object_uuid=fo-2efc932d36c75c85: {'126877-05-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
strataUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Acetic acid, [4-(2,6-dihydro-2,6-dioxo-7-phenylbenzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran-3-yl)phenoxy]-, 2-ethoxyethyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126877-05-2', 'https://commonchemistry.cas.org/detail?cas_rn=126877-05-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Benzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran, acetic acid deriv.', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:126877-05-2', 'https://commonchemistry.cas.org/detail?cas_rn=126877-05-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=2-(ethyloxy)ethyl{[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate||dimension=Environmental > media=Ground > geography=Unknown; cas=126877-05-2; added Common Chemistry CAS names as altLabel: Acetic acid, [4-(2,6-dihydro-2,6-dioxo-7-phenylbenzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran-3-yl)phenoxy]-, 2-ethoxyethyl ester, Benzo[1,2-<em>b</em>:4,5-<em>b</em>′]difuran, acetic acid deriv.; object_uuid=fo-2efc932d36c75c85
cas_match_labels None {'126877-05-2': 'exactMatch'} group_key=2-(ethyloxy)ethyl{[4-(2,6-dioxo-7-phenyl-2,6-dihydrofuro[2,3-f][1]benzofuran-3-yl)phenyl]oxy}acetate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=[]; cas_sources={'126877-05-2': []}; assigned CAS labels from group consensus; object_uuid=fo-2efc932d36c75c85: {'126877-05-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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