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6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate

UUID 113c9e07-a6e1-4a1b-b9ce-2c6d1c10a18a
Deprecated yes
Replaced By 06e36a7a-66fa-43e2-b9f3-28cabd5b59c5
Flow Object IDfo-c6e7055f892ed4f6
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 41026-17-9
EC Numbers 255-180-5
prefLabel
Language Value Provenance
en 6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate
altLabel ⓘ
Language Value Provenance
en 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester
en Neopentyl glycol bis(tetrahydrophthalate)
References
Shared Properties
Predicate Value
InChIKey WYEWIMCFHPCSOP-UHFFFAOYSA-N, ZNLDISJPOBTICN-UHFFFAOYSA-N
InChI InChI=1S/C13H18O4/c1-13(2)7-16-11(14)9-5-3-4-6-10(9)12(15)17-8-13/h3-4,9-10H,5-8H2,1-2H3, InChI=1S/C21H28O8/c1-21(2,11-28-19(26)15-9-5-3-7-13(15)17(22)23)12-29-20(27)16-10-6-4-8-14(16)18(24)25/h3-6,13-16H,7-12H2,1-2H3,(H,22,23)(H,24,25)
IUPAC name 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-dione, 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonin-1,7-quinone, 4,4-dimethyl-3,5,7a,8,11,11a-hexahydro-2,6-benzodioxonine-1,7-dione, 6-[3-(6-carboxycyclohex-3-en-1-yl)carbonyloxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethyl-propoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[3-(6-carboxycyclohex-3-ene-1-carbonyl)oxy-2,2-dimethylpropoxy]carbonylcyclohex-3-ene-1-carboxylic acid, 6-[[3-[(6-carboxy-1-cyclohex-3-enyl)-oxomethoxy]-2,2-dimethylpropoxy]-oxomethyl]-1-cyclohex-3-enecarboxylic acid
Molecular formula C13H18O4, C21H28O8
SMILES CC(C)(COC(=O)C1CC=CCC1C(=O)O)COC(=O)C2CC=CCC2C(=O)O, CC1(COC(=O)C2CC=CCC2C(=O)OC1)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 113c9e07-a6e1-4a1b-b9ce-2c6d1c10a18a 6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate

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=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
cas_match_labels 1 — consensus_match group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41026-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=41026-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Neopentyl glycol bis(tetrahydrophthalate)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:41026-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=41026-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; cas=41026-17-9; added Common Chemistry CAS names as altLabel: 4-Cyclohexene-1,2-dicarboxylic acid, 2,2-dimethyl-1,3-propanediyl ester, Neopentyl glycol bis(tetrahydrophthalate); object_uuid=fo-c6e7055f892ed4f6
cas_match_labels None {'41026-17-9': 'exactMatch'} group_key=6-[(3-{[(6-carboxycyclohex-3-en-1-yl)carbonyl]oxy}-2,2-dimethylpropoxy)carbonyl]cyclohex-3-ene-1-carboxylate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'41026-17-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-c6e7055f892ed4f6: {'41026-17-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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