Organooxygen compounds
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Ethyl (4-Bromobenzoyl)acetate 98.0+%, TCI America™
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CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.11 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 2757149 |
|---|---|
| CAS | 26510-95-2 |
| Molecular Weight (g/mol) | 271.11 |
| MDL Number | MFCD00231243 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| Synonym | ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
| InChI Key | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrO3 |
Triethyl Orthobutyrate 90.0+%, TCI America™
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CAS: 24964-76-9 Molecular Formula: C10H22O3 Molecular Weight (g/mol): 190.28 MDL Number: MFCD00059382 InChI Key: KOPMZTKUZCNGFY-UHFFFAOYSA-N Synonym: Ethyl Orthobutyrate, Orthobutyric Acid Triethyl Ester, 1,1,1-Triethoxybutane PubChem CID: 371779 IUPAC Name: 1,1,1-triethoxybutane SMILES: CCCC(OCC)(OCC)OCC
| PubChem CID | 371779 |
|---|---|
| CAS | 24964-76-9 |
| Molecular Weight (g/mol) | 190.28 |
| MDL Number | MFCD00059382 |
| SMILES | CCCC(OCC)(OCC)OCC |
| Synonym | Ethyl Orthobutyrate, Orthobutyric Acid Triethyl Ester, 1,1,1-Triethoxybutane |
| IUPAC Name | 1,1,1-triethoxybutane |
| InChI Key | KOPMZTKUZCNGFY-UHFFFAOYSA-N |
| Molecular Formula | C10H22O3 |
Diethyl Methylmalonate 98.0+%, TCI America™
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CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC
| PubChem CID | 11857 |
|---|---|
| CAS | 609-08-5 |
| Molecular Weight (g/mol) | 174.196 |
| MDL Number | MFCD00009162 |
| SMILES | CCOC(=O)C(C)C(=O)OCC |
| Synonym | diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl |
| IUPAC Name | diethyl 2-methylpropanedioate |
| InChI Key | UPQZOUHVTJNGFK-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
Ethyl 4,4-Dimethyl-3-oxovalerate 98.0+%, TCI America™
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CAS: 17094-34-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00042886 InChI Key: VUYNTIDSHCJIKF-UHFFFAOYSA-N Synonym: ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 PubChem CID: 86950 IUPAC Name: ethyl 4,4-dimethyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)(C)C
| PubChem CID | 86950 |
|---|---|
| CAS | 17094-34-7 |
| Molecular Weight (g/mol) | 172.22 |
| MDL Number | MFCD00042886 |
| SMILES | CCOC(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl pivaloylacetate,ethyl 4,4,4-trimethylacetoacetate,ethyl 4,4-dimethyl-3-oxovalerate,4,4-dimethyl-3-oxovaleric acid ethyl ester,pivaloylacetic acid ethyl ester,ethyl 4,4-dimethyl-3-oxo-pentanoate,pentanoic acid, 4,4-dimethyl-3-oxo-, ethyl ester,4,4-dimethyl-3-oxo-pentanoic acid ethyl ester,ethylpivaloylacetate,pubchem19816 |
| IUPAC Name | ethyl 4,4-dimethyl-3-oxopentanoate |
| InChI Key | VUYNTIDSHCJIKF-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
3'-Benzyloxyacetophenone 98.0+%, TCI America™
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CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
(S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone 98.0+%, TCI America™
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CAS: 189028-93-1 Molecular Formula: C20H18FNO4 Molecular Weight (g/mol): 355.365 MDL Number: MFCD08061377 InChI Key: XXSSRSVXDNUAQX-QGZVFWFLSA-N PubChem CID: 11187377 IUPAC Name: 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione SMILES: C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3
| PubChem CID | 11187377 |
|---|---|
| CAS | 189028-93-1 |
| Molecular Weight (g/mol) | 355.365 |
| MDL Number | MFCD08061377 |
| SMILES | C1C(N(C(=O)O1)C(=O)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 |
| IUPAC Name | 1-(4-fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione |
| InChI Key | XXSSRSVXDNUAQX-QGZVFWFLSA-N |
| Molecular Formula | C20H18FNO4 |
2-Chloro-3',4'-difluoroacetophenone 98.0+%, TCI America™
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CAS: 51336-95-9 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD03966888 InChI Key: VMEDAWUIKFAFJQ-UHFFFAOYSA-N PubChem CID: 2392321 IUPAC Name: 2-chloro-1-(3,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)F)F
| PubChem CID | 2392321 |
|---|---|
| CAS | 51336-95-9 |
| Molecular Weight (g/mol) | 190.574 |
| MDL Number | MFCD03966888 |
| SMILES | C1=CC(=C(C=C1C(=O)CCl)F)F |
| IUPAC Name | 2-chloro-1-(3,4-difluorophenyl)ethanone |
| InChI Key | VMEDAWUIKFAFJQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClF2O |
2-Quinolinecarboxaldehyde 97.0+%, TCI America™
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CAS: 5470-96-2 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.17 MDL Number: MFCD00075032 InChI Key: WPYJKGWLDJECQD-UHFFFAOYSA-N Synonym: 2-quinolinecarboxaldehyde,quinoline-2-carboxaldehyde,2-quinolinecarbaldehyde,2-formylquinoline,quinaldaldehyde,quinolinecarboxaldehyde,quinoline aldehyde,quinoline-2-aldehyde,zlchem 599,pubchem2277 PubChem CID: 79619 IUPAC Name: quinoline-2-carbaldehyde SMILES: O=CC1=CC=C2C=CC=CC2=N1
| PubChem CID | 79619 |
|---|---|
| CAS | 5470-96-2 |
| Molecular Weight (g/mol) | 157.17 |
| MDL Number | MFCD00075032 |
| SMILES | O=CC1=CC=C2C=CC=CC2=N1 |
| Synonym | 2-quinolinecarboxaldehyde,quinoline-2-carboxaldehyde,2-quinolinecarbaldehyde,2-formylquinoline,quinaldaldehyde,quinolinecarboxaldehyde,quinoline aldehyde,quinoline-2-aldehyde,zlchem 599,pubchem2277 |
| IUPAC Name | quinoline-2-carbaldehyde |
| InChI Key | WPYJKGWLDJECQD-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
3,5-Dichlorobenzaldehyde 97.0+%, TCI America™
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CAS: 10203-08-4 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003352 InChI Key: CASRSOJWLARCRX-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 PubChem CID: 35746 IUPAC Name: 3,5-dichlorobenzaldehyde SMILES: C1=C(C=C(C=C1Cl)Cl)C=O
| PubChem CID | 35746 |
|---|---|
| CAS | 10203-08-4 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003352 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 3,5-dichloro,3,5-dichloro-benzaldehyde,unii-m74yu7se79,rarechem aq a2 0002,pubchem3068,3,5-dichlorobezaldehyde,3,5-dichlorobenaldehyde,3?5-dichlorobenzaldehyde,benzaldehyde,5-dichloro,acmc-1bxq6 |
| IUPAC Name | 3,5-dichlorobenzaldehyde |
| InChI Key | CASRSOJWLARCRX-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
DL-4-Hydroxy-3-methoxymandelic Acid 98.0+%, TCI America™
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CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 197.17 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=CC(=CC=C1O)[C@H](O)C([O-])=O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| IUPAC Name | (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate |
| InChI Key | CGQCWMIAEPEHNQ-QMMMGPOBSA-M |
| Molecular Formula | C9H9O5 |
Haloperidol 98.0+%, TCI America™
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CAS: 52-86-8 Molecular Formula: C21H23ClFNO2 Molecular Weight (g/mol): 375.87 MDL Number: MFCD00051423 InChI Key: LNEPOXFFQSENCJ-UHFFFAOYSA-N Synonym: haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol PubChem CID: 3559 ChEBI: CHEBI:5613 IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1
| PubChem CID | 3559 |
|---|---|
| CAS | 52-86-8 |
| Molecular Weight (g/mol) | 375.87 |
| ChEBI | CHEBI:5613 |
| MDL Number | MFCD00051423 |
| SMILES | OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 |
| Synonym | haloperidol,haldol,aloperidin,serenace,aloperidol,brotopon,eukystol,einalon s,aloperidolo,galoperidol |
| IUPAC Name | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one |
| InChI Key | LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Molecular Formula | C21H23ClFNO2 |
2,12-Dichlorocyclododecanone 98.0+%, TCI America™
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CAS: 858830-26-9 Molecular Formula: C12H20Cl2O Molecular Weight (g/mol): 251.19 MDL Number: MFCD04117917 InChI Key: MEHFXKFLCAZPSE-UHFFFAOYNA-N PubChem CID: 44630272 IUPAC Name: 2,12-dichlorocyclododecan-1-one SMILES: ClC1CCCCCCCCCC(Cl)C1=O
| PubChem CID | 44630272 |
|---|---|
| CAS | 858830-26-9 |
| Molecular Weight (g/mol) | 251.19 |
| MDL Number | MFCD04117917 |
| SMILES | ClC1CCCCCCCCCC(Cl)C1=O |
| IUPAC Name | 2,12-dichlorocyclododecan-1-one |
| InChI Key | MEHFXKFLCAZPSE-UHFFFAOYNA-N |
| Molecular Formula | C12H20Cl2O |
3,3-Dimethylbutyraldehyde 97.0+%, TCI America™
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CAS: 2987-16-8 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.161 MDL Number: MFCD00042807 InChI Key: LTNUSYNQZJZUSY-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd PubChem CID: 76335 IUPAC Name: 3,3-dimethylbutanal SMILES: CC(C)(C)CC=O
| PubChem CID | 76335 |
|---|---|
| CAS | 2987-16-8 |
| Molecular Weight (g/mol) | 100.161 |
| MDL Number | MFCD00042807 |
| SMILES | CC(C)(C)CC=O |
| Synonym | 3,3-dimethylbutyraldehyde,3,3-dimethyl-butyraldehyde,butanal, 3,3-dimethyl,unii-cam6hd7jki,tert-butylacetaldehyde,3,3-dimethyl-butanal,cam6hd7jki,neohexal,pubchem3076,3,3-dimethylbutyraldehyd |
| IUPAC Name | 3,3-dimethylbutanal |
| InChI Key | LTNUSYNQZJZUSY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Dyclonine Hydrochloride 98.0+%, TCI America™
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CAS: 536-43-6 Molecular Formula: C18H28ClNO2 Molecular Weight (g/mol): 325.88 MDL Number: MFCD00035386 InChI Key: KNZADIMHVBBPOA-UHFFFAOYSA-N Synonym: dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride PubChem CID: 68304 ChEBI: CHEBI:4725 IUPAC Name: hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride SMILES: [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1
| PubChem CID | 68304 |
|---|---|
| CAS | 536-43-6 |
| Molecular Weight (g/mol) | 325.88 |
| ChEBI | CHEBI:4725 |
| MDL Number | MFCD00035386 |
| SMILES | [H+].[Cl-].CCCCOC1=CC=C(C=C1)C(=O)CCN1CCCCC1 |
| Synonym | dyclonine hydrochloride,dyclonine hcl,dyclone,dyclothane,tanaclone,4'-butoxy-3-piperidinopropiophenone hydrochloride,dyclocaine hydrochloride,unii-zec193879q,1-propanone, 1-4-butoxyphenyl-3-1-piperidinyl-, hydrochloride |
| IUPAC Name | hydrogen 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one chloride |
| InChI Key | KNZADIMHVBBPOA-UHFFFAOYSA-N |
| Molecular Formula | C18H28ClNO2 |
Diethyl Ethylmalonate 98.0+%, TCI America™
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CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 8610 |
|---|---|
| CAS | 133-13-1 |
| Molecular Weight (g/mol) | 188.223 |
| MDL Number | MFCD00009167 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate |
| IUPAC Name | diethyl 2-ethylpropanedioate |
| InChI Key | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
| Molecular Formula | C9H16O4 |