Fatty acid conjugates

Positional and geometric isomers of fatty acids with conjugated double bonds; implies four consecutive unsaturated links, and results in a delocalization of electrons along the double-bonded carbons; available in carbon chains of varying length.

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Di-n-butyltin bis(2-ethylhexanoate)

CAS: 2781-10-4 MDL Number: MFCD00015261

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CAS	2781-10-4
MDL Number	MFCD00015261

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Thermo Scientific Chemicals Linoleic acid, 99%

CAS: 60-33-3 Molecular Formula: C₁₈H₃₂O₂ Molecular Weight (g/mol): 280.45 InChI Key: OYHQOLUKZRVURQ-HZJYTTRNSA-N Synonym: linoleic acid,linolic acid,telfairic acid,cis,cis-linoleic acid,9z,12z-octadeca-9,12-dienoic acid,linoleate,grape seed oil,cis,cis-9,12-octadecadienoic acid,cis-9,cis-12-octadecadienoic acid,9z,12z-linoleic acid PubChem CID: 5280450 ChEBI: CHEBI:17351 IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O

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PubChem CID	5280450
CAS	60-33-3
Molecular Weight (g/mol)	280.45
ChEBI	CHEBI:17351
SMILES	CCCCCC=CCC=CCCCCCCCC(=O)O
Synonym	linoleic acid,linolic acid,telfairic acid,cis,cis-linoleic acid,9z,12z-octadeca-9,12-dienoic acid,linoleate,grape seed oil,cis,cis-9,12-octadecadienoic acid,cis-9,cis-12-octadecadienoic acid,9z,12z-linoleic acid
IUPAC Name	(9Z,12Z)-octadeca-9,12-dienoic acid
InChI Key	OYHQOLUKZRVURQ-HZJYTTRNSA-N
Molecular Formula	C₁₈H₃₂O₂

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Sorbic acid, 99%

CAS: 110-44-1 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 MDL Number: MFCD00002703 InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonym: sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid PubChem CID: 643460 ChEBI: CHEBI:38358 IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid SMILES: C\C=C\C=C\C(O)=O

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PubChem CID	643460
CAS	110-44-1
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:38358
MDL Number	MFCD00002703
SMILES	C\C=C\C=C\C(O)=O
Synonym	sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid
IUPAC Name	(2E,4E)-hexa-2,4-dienoic acid
InChI Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Molecular Formula	C6H8O2

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5-Bromovaleric acid, 97%

CAS: 2067-33-6 Molecular Formula: C5H9BrO2 Molecular Weight (g/mol): 181.029 MDL Number: MFCD00004414 InChI Key: WNXNUPJZWYOKMW-UHFFFAOYSA-N Synonym: 5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid PubChem CID: 16368 IUPAC Name: 5-bromopentanoic acid SMILES: C(CCBr)CC(=O)O

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PubChem CID	16368
CAS	2067-33-6
Molecular Weight (g/mol)	181.029
MDL Number	MFCD00004414
SMILES	C(CCBr)CC(=O)O
Synonym	5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid
IUPAC Name	5-bromopentanoic acid
InChI Key	WNXNUPJZWYOKMW-UHFFFAOYSA-N
Molecular Formula	C5H9BrO2

Selectophore™ Oleic acid, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00064242 Synonym: cis-9-Octadecenoic acid; Elainic acid

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Specifications

MDL Number	MFCD00064242
Synonym	cis-9-Octadecenoic acid; Elainic acid

Yttrium(III) 2-ethylhexanoate, 99.8% (metals basis)

CAS: 103470-68-4 Molecular Formula: C24H45O6Y Molecular Weight (g/mol): 518.524 MDL Number: MFCD00070441 InChI Key: AGOMHFKGCMKLDA-UHFFFAOYSA-K Synonym: yttrium iii 2-ethylhexanoate,yttrium 2-ethylhexanoate,hexanoic acid,2-ethyl-, yttrium 3+ salt 3:1,yttrium iii 2-ethylhexanoate w/v in n-hexane,acmc-1c5ry,yttrium tri 2-ethylhexanoate,yttrium tris 2-ethylhexanoate,tris 2-ethylhexanoic acid yttrium salt,yttrium 3+ tris 2-ethylhexanoate,yttrium iii 2-ethylhexanoate y PubChem CID: 15607674 IUPAC Name: 2-ethylhexanoate;yttrium(3+) SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3]

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Specifications

PubChem CID	15607674
CAS	103470-68-4
Molecular Weight (g/mol)	518.524
MDL Number	MFCD00070441
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Y+3]
Synonym	yttrium iii 2-ethylhexanoate,yttrium 2-ethylhexanoate,hexanoic acid,2-ethyl-, yttrium 3+ salt 3:1,yttrium iii 2-ethylhexanoate w/v in n-hexane,acmc-1c5ry,yttrium tri 2-ethylhexanoate,yttrium tris 2-ethylhexanoate,tris 2-ethylhexanoic acid yttrium salt,yttrium 3+ tris 2-ethylhexanoate,yttrium iii 2-ethylhexanoate y
IUPAC Name	2-ethylhexanoate;yttrium(3+)
InChI Key	AGOMHFKGCMKLDA-UHFFFAOYSA-K
Molecular Formula	C24H45O6Y

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3-(Trifluoromethyl)crotonic acid, 96%

CAS: 69056-67-3 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00014374,MFCD01457157 InChI Key: QRRCTLYMABZQCS-NSCUHMNNSA-N Synonym: beta-trifluoromethylcrotonic acid,3-trifluoromethylcrotonic acid,3-trifluoromethyl crotonic acid,2z-4,4,4-trifluoro-3-methylbut-2-enoic acid,heddpadiaicichiceiumlbbp,z-4,4,4-trifluoro-3-methylbut-2-enoic acid,4,4,4-trifluoro-3-methyl-2-butenoic acid,2-butenoic acid,4,4,4-trifluoro-3-methyl-, 2z PubChem CID: 5708835 IUPAC Name: (Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid SMILES: C\C(=C/C(O)=O)C(F)(F)F

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Specifications

PubChem CID	5708835
CAS	69056-67-3
Molecular Weight (g/mol)	154.09
MDL Number	MFCD00014374,MFCD01457157
SMILES	C\C(=C/C(O)=O)C(F)(F)F
Synonym	beta-trifluoromethylcrotonic acid,3-trifluoromethylcrotonic acid,3-trifluoromethyl crotonic acid,2z-4,4,4-trifluoro-3-methylbut-2-enoic acid,heddpadiaicichiceiumlbbp,z-4,4,4-trifluoro-3-methylbut-2-enoic acid,4,4,4-trifluoro-3-methyl-2-butenoic acid,2-butenoic acid,4,4,4-trifluoro-3-methyl-, 2z
IUPAC Name	(Z)-4,4,4-trifluoro-3-methylbut-2-enoic acid
InChI Key	QRRCTLYMABZQCS-NSCUHMNNSA-N
Molecular Formula	C5H5F3O2

3-Hydroxy-3-methylbutyric acid, 96%

CAS: 625-08-1 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00059081 InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N Synonym: beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate PubChem CID: 69362 ChEBI: CHEBI:37084 IUPAC Name: 3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(O)CC(O)=O

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PubChem CID	69362
CAS	625-08-1
Molecular Weight (g/mol)	118.13
ChEBI	CHEBI:37084
MDL Number	MFCD00059081
SMILES	CC(C)(O)CC(O)=O
Synonym	beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate
IUPAC Name	3-hydroxy-3-methylbutanoic acid
InChI Key	AXFYFNCPONWUHW-UHFFFAOYSA-N
Molecular Formula	C5H10O3

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Bromosuccinic acid, 96%

CAS: 923-06-8 Molecular Formula: C4H5BrO4 Molecular Weight (g/mol): 196.98 MDL Number: MFCD00004213 InChI Key: QQWGVQWAEANRTK-UHFFFAOYNA-N Synonym: bromosuccinic acid,2-bromosuccinic acid,monobromosuccinic acid,butanedioic acid, bromo,+--bromosuccinic acid,dl-bromosuccinic acid,rs-bromosuccinic acid,succinic acid, bromo,bromobutanedioic acid PubChem CID: 73557 ChEBI: CHEBI:73712 IUPAC Name: 2-bromobutanedioic acid SMILES: OC(=O)CC(Br)C(O)=O

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Specifications

PubChem CID	73557
CAS	923-06-8
Molecular Weight (g/mol)	196.98
ChEBI	CHEBI:73712
MDL Number	MFCD00004213
SMILES	OC(=O)CC(Br)C(O)=O
Synonym	bromosuccinic acid,2-bromosuccinic acid,monobromosuccinic acid,butanedioic acid, bromo,+--bromosuccinic acid,dl-bromosuccinic acid,rs-bromosuccinic acid,succinic acid, bromo,bromobutanedioic acid
IUPAC Name	2-bromobutanedioic acid
InChI Key	QQWGVQWAEANRTK-UHFFFAOYNA-N
Molecular Formula	C4H5BrO4

Zinc 2-ethylhexanoate, Zn ≈ 20%, cont. 1% diethylene glycolmonomethyl ether

CAS: 136-53-8 Molecular Formula: C16H30O4Zn Molecular Weight (g/mol): 351.792 MDL Number: MFCD00053316 InChI Key: IFNXAMCERSVZCV-UHFFFAOYSA-L Synonym: zinc 2-ethylhexanoate,zinc bis 2-ethylhexanoate,zinc 2-ethylhexoate,hexanoic acid, 2-ethyl-, zinc salt,hexanoic acid, 2-ethyl-, zinc salt 2:1,zinc ethylhexanoate,hexanoic acid, 2-ethyl-, zinc salt, basic,zinc 2-ethylhexanoate 100g,zinc 2+ ion bis 2-ethylhexanoate PubChem CID: 61083 IUPAC Name: zinc;2-ethylhexanoate SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2]

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Specifications

PubChem CID	61083
CAS	136-53-8
Molecular Weight (g/mol)	351.792
MDL Number	MFCD00053316
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2]
Synonym	zinc 2-ethylhexanoate,zinc bis 2-ethylhexanoate,zinc 2-ethylhexoate,hexanoic acid, 2-ethyl-, zinc salt,hexanoic acid, 2-ethyl-, zinc salt 2:1,zinc ethylhexanoate,hexanoic acid, 2-ethyl-, zinc salt, basic,zinc 2-ethylhexanoate 100g,zinc 2+ ion bis 2-ethylhexanoate
IUPAC Name	zinc;2-ethylhexanoate
InChI Key	IFNXAMCERSVZCV-UHFFFAOYSA-L
Molecular Formula	C16H30O4Zn

11-Maleimidoundecanoic acid

CAS: 57079-01-3 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.352 MDL Number: MFCD00941279 InChI Key: UVZTZBRGZXIBLZ-UHFFFAOYSA-N Synonym: 11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837 PubChem CID: 4618600 IUPAC Name: 11-(2,5-dioxopyrrol-1-yl)undecanoic acid SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	4618600
CAS	57079-01-3
Molecular Weight (g/mol)	281.352
MDL Number	MFCD00941279
SMILES	C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O
Synonym	11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837
IUPAC Name	11-(2,5-dioxopyrrol-1-yl)undecanoic acid
InChI Key	UVZTZBRGZXIBLZ-UHFFFAOYSA-N
Molecular Formula	C15H23NO4

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6-(Boc-amino)hexanoic acid, 95%

CAS: 6404-29-1 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD00037798 InChI Key: RUFDYIJGNPVTAY-UHFFFAOYSA-N Synonym: boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid PubChem CID: 637602 IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	637602
CAS	6404-29-1
Molecular Weight (g/mol)	231.292
MDL Number	MFCD00037798
SMILES	CC(C)(C)OC(=O)NCCCCCC(=O)O
Synonym	boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid
IUPAC Name	6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	RUFDYIJGNPVTAY-UHFFFAOYSA-N
Molecular Formula	C11H21NO4

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Ethyl hydrogen pimelate, 98%

CAS: 33018-91-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00801202 InChI Key: NQYXFXWKKYGBNL-UHFFFAOYSA-N Synonym: ethyl hydrogen pimelate,pimelic acid monoethyl ester,heptanedioic acid monoethyl ester,ethyl hydrogen heptane-1,7-dioate,ethyl hydroden pimelate,heptandioic acid monoethyl ester,heptanedioic acid 1-ethyl ester,heptanedioic acid, 1-ethyl ester PubChem CID: 118383 IUPAC Name: 7-ethoxy-7-oxoheptanoic acid SMILES: CCOC(=O)CCCCCC(=O)O

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Specifications

PubChem CID	118383
CAS	33018-91-6
Molecular Weight (g/mol)	188.223
MDL Number	MFCD00801202
SMILES	CCOC(=O)CCCCCC(=O)O
Synonym	ethyl hydrogen pimelate,pimelic acid monoethyl ester,heptanedioic acid monoethyl ester,ethyl hydrogen heptane-1,7-dioate,ethyl hydroden pimelate,heptandioic acid monoethyl ester,heptanedioic acid 1-ethyl ester,heptanedioic acid, 1-ethyl ester
IUPAC Name	7-ethoxy-7-oxoheptanoic acid
InChI Key	NQYXFXWKKYGBNL-UHFFFAOYSA-N
Molecular Formula	C9H16O4

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(Ethylthio)acetic acid, 97%

CAS: 627-04-3 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00021769 InChI Key: VJIKFWJCVWFZIN-UHFFFAOYSA-N Synonym: ethylthio acetic acid,acetic acid, ethylthio,ethylthioacetic acid,ethylmercapto acetic acid,carboxymethyl ethyl sulfide,s-carboxymethyl ethyl mercaptan,2-ethylthio acetic acid,unii-m3d5y724hz,acetic acid, 2-ethylthio,ethylmercaptoacetic acid PubChem CID: 69387 IUPAC Name: 2-ethylsulfanylacetic acid SMILES: CCSCC(=O)O

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Specifications

PubChem CID	69387
CAS	627-04-3
Molecular Weight (g/mol)	120.166
MDL Number	MFCD00021769
SMILES	CCSCC(=O)O
Synonym	ethylthio acetic acid,acetic acid, ethylthio,ethylthioacetic acid,ethylmercapto acetic acid,carboxymethyl ethyl sulfide,s-carboxymethyl ethyl mercaptan,2-ethylthio acetic acid,unii-m3d5y724hz,acetic acid, 2-ethylthio,ethylmercaptoacetic acid
IUPAC Name	2-ethylsulfanylacetic acid
InChI Key	VJIKFWJCVWFZIN-UHFFFAOYSA-N
Molecular Formula	C4H8O2S

Nickel(II) octanoate, in mineral spirits (8% Ni)

CAS: 4995-91-9 Molecular Formula: C8H16NiO2 Molecular Weight (g/mol): 202.907 MDL Number: MFCD00064239 InChI Key: ANYMYNDNCKURBB-UHFFFAOYSA-N Synonym: nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt PubChem CID: 54611835 IUPAC Name: nickel;octanoic acid SMILES: CCCCCCCC(=O)O.[Ni]

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Specifications

PubChem CID	54611835
CAS	4995-91-9
Molecular Weight (g/mol)	202.907
MDL Number	MFCD00064239
SMILES	CCCCCCCC(=O)O.[Ni]
Synonym	nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt
IUPAC Name	nickel;octanoic acid
InChI Key	ANYMYNDNCKURBB-UHFFFAOYSA-N
Molecular Formula	C8H16NiO2

Fatty acid conjugates

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