Organooxygen compounds
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1-Methylimidazole-2-carboxaldehyde, 98%
CAS: 13750-81-7 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01321308 InChI Key: UEBFLTZXUXZPJO-UHFFFAOYSA-N Synonym: 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 PubChem CID: 139575 IUPAC Name: 1-methylimidazole-2-carbaldehyde SMILES: CN1C=CN=C1C=O
| PubChem CID | 139575 |
|---|---|
| CAS | 13750-81-7 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01321308 |
| SMILES | CN1C=CN=C1C=O |
| Synonym | 1-methyl-1h-imidazole-2-carbaldehyde,1-methyl-2-imidazolecarboxaldehyde,1-methylimidazole-2-carboxaldehyde,1h-imidazole-2-carboxaldehyde, 1-methyl,2-formyl-1-methylimidazole,imidazole-2-carboxaldehyde, 1-methyl,pubchem7614,zlchem 1231,2-formyl-l-methylimidazole,acmc-209ce6 |
| IUPAC Name | 1-methylimidazole-2-carbaldehyde |
| InChI Key | UEBFLTZXUXZPJO-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
2,6-Dimethoxypyridine-3-boronic acid pinacol ester, 97%
CAS: 214360-59-5 Molecular Formula: C13H20BNO4 Molecular Weight (g/mol): 265.12 MDL Number: MFCD03788240 InChI Key: VZGDCNFVMWRPOW-UHFFFAOYSA-N Synonym: 2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxypyridine-3-boronic acid pinacol ester,2,6-dimethoxypyridine-5-boronic acid pinacol ester,2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,2,6-dimethoxypyridine-3-boronic acid, pinacol ester,2,6-dimethoxy-5 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2,6-dimethoxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxabo PubChem CID: 2758487 IUPAC Name: 2,6-dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: COC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1
| PubChem CID | 2758487 |
|---|---|
| CAS | 214360-59-5 |
| Molecular Weight (g/mol) | 265.12 |
| MDL Number | MFCD03788240 |
| SMILES | COC1=CC=C(B2OC(C)(C)C(C)(C)O2)C(OC)=N1 |
| Synonym | 2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxypyridine-3-boronic acid pinacol ester,2,6-dimethoxypyridine-5-boronic acid pinacol ester,2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,2,6-dimethoxypyridine-3-boronic acid, pinacol ester,2,6-dimethoxy-5 3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-pyridine,pyridine, 2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2,6-dimethoxy-3-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2,6-dimethoxy-3-4,4,5,5-tetramethyl-1,3,2-dioxabo |
| IUPAC Name | 2,6-dimethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | VZGDCNFVMWRPOW-UHFFFAOYSA-N |
| Molecular Formula | C13H20BNO4 |
Ethyl isobutyrylacetate, 94%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
5α -Cholest-8(14)-en-3β-ol-15-one, 97%, Thermo Scientific™
CAS: 50673-97-7 Molecular Formula: C27H44O2 Molecular Weight (g/mol): 400.65 MDL Number: MFCD09065035 InChI Key: LINVVMHRTUSXHL-NDNSGUFDSA-N Synonym: colestolone,colestolonum,colestolona,15-ketocholestene,unii-5p8396t5xf,3beta-hydroxy-5alpha-cholest-8 14-en-15-one,15-oxo-5alpha-cholest-8 14-en-3beta-ol,colestolone usan:inn,5alpha-cholest-8 14-en-3-beta-ol-15-one,colestolonum inn-latin PubChem CID: 10046567 ChEBI: CHEBI:61829 SMILES: CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
| PubChem CID | 10046567 |
|---|---|
| CAS | 50673-97-7 |
| Molecular Weight (g/mol) | 400.65 |
| ChEBI | CHEBI:61829 |
| MDL Number | MFCD09065035 |
| SMILES | CC(C)CCCC(C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C |
| Synonym | colestolone,colestolonum,colestolona,15-ketocholestene,unii-5p8396t5xf,3beta-hydroxy-5alpha-cholest-8 14-en-15-one,15-oxo-5alpha-cholest-8 14-en-3beta-ol,colestolone usan:inn,5alpha-cholest-8 14-en-3-beta-ol-15-one,colestolonum inn-latin |
| InChI Key | LINVVMHRTUSXHL-NDNSGUFDSA-N |
| Molecular Formula | C27H44O2 |
3-Methyl-1-phenyl-2-butanone, 96%
CAS: 2893-05-2 Molecular Formula: C6H15NO Molecular Weight (g/mol): 117.19 MDL Number: MFCD00040487 InChI Key: VHYUNSUGCNKWSO-UHFFFAOYSA-N Synonym: 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine PubChem CID: 76194 IUPAC Name: 3-propan-2-yloxypropan-1-amine SMILES: CC(C)OCCCN
| PubChem CID | 76194 |
|---|---|
| CAS | 2893-05-2 |
| Molecular Weight (g/mol) | 117.19 |
| MDL Number | MFCD00040487 |
| SMILES | CC(C)OCCCN |
| Synonym | 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine |
| IUPAC Name | 3-propan-2-yloxypropan-1-amine |
| InChI Key | VHYUNSUGCNKWSO-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO |
Quinoline-8-carboxaldehyde, 97%
CAS: 38707-70-9 Molecular Formula: C10H7NO Molecular Weight (g/mol): 157.172 MDL Number: MFCD00805837 InChI Key: OVZQVGZERAFSPI-UHFFFAOYSA-N Synonym: 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j PubChem CID: 170103 IUPAC Name: quinoline-8-carbaldehyde SMILES: C1=CC2=C(C(=C1)C=O)N=CC=C2
| PubChem CID | 170103 |
|---|---|
| CAS | 38707-70-9 |
| Molecular Weight (g/mol) | 157.172 |
| MDL Number | MFCD00805837 |
| SMILES | C1=CC2=C(C(=C1)C=O)N=CC=C2 |
| Synonym | 8-quinolinecarboxaldehyde,8-quinolinecarbaldehyde,quinoline-8-carboxaldehyde,8-quinoline carbaldehyde,8-formylquinoline,ccris 6968,timtec-bb sbb010129,8-quinolinecarboaldehyde,acmc-209j1k,ksc224g8j |
| IUPAC Name | quinoline-8-carbaldehyde |
| InChI Key | OVZQVGZERAFSPI-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO |
4-Methoxy-3-buten-2-one, 90%, tech.
CAS: 4652-27-1 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008778,MFCD00008778,MFCD00008778 InChI Key: VLLHEPHWWIDUSS-ARJAWSKDSA-N Synonym: z-4-methoxybut-3-en-2-one,3z-4-methoxybut-3-en-2-one,3-buten-2-one, 4-methoxy-, 3z,z-4-methoxy-3-butene-2-one PubChem CID: 643837 IUPAC Name: (Z)-4-methoxybut-3-en-2-one SMILES: CO\C=C/C(C)=O
| PubChem CID | 643837 |
|---|---|
| CAS | 4652-27-1 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008778,MFCD00008778,MFCD00008778 |
| SMILES | CO\C=C/C(C)=O |
| Synonym | z-4-methoxybut-3-en-2-one,3z-4-methoxybut-3-en-2-one,3-buten-2-one, 4-methoxy-, 3z,z-4-methoxy-3-butene-2-one |
| IUPAC Name | (Z)-4-methoxybut-3-en-2-one |
| InChI Key | VLLHEPHWWIDUSS-ARJAWSKDSA-N |
| Molecular Formula | C5H8O2 |
3-Ethoxy-4-hydroxybenzaldehyde, 97%
CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| PubChem CID | 8467 |
|---|---|
| CAS | 121-32-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:48408 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| Synonym | ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
1-Methoxynaphthalene, 98+%
CAS: 2216-69-5 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.2 MDL Number: MFCD00003924 InChI Key: NQMUGNMMFTYOHK-UHFFFAOYSA-N Synonym: naphthalene, 1-methoxy,methyl 1-naphthyl ether,1-methoxy naphthalene,naphthalene, methoxy,alpha-methoxynaphthalene,unii-dg2eol57lf,.alpha.-methoxynaphthalene,methoxynaphthalene,alpha-naphthyl methyl ether,dg2eol57lf PubChem CID: 16668 IUPAC Name: 1-methoxynaphthalene SMILES: COC1=CC=CC2=CC=CC=C21
| PubChem CID | 16668 |
|---|---|
| CAS | 2216-69-5 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00003924 |
| SMILES | COC1=CC=CC2=CC=CC=C21 |
| Synonym | naphthalene, 1-methoxy,methyl 1-naphthyl ether,1-methoxy naphthalene,naphthalene, methoxy,alpha-methoxynaphthalene,unii-dg2eol57lf,.alpha.-methoxynaphthalene,methoxynaphthalene,alpha-naphthyl methyl ether,dg2eol57lf |
| IUPAC Name | 1-methoxynaphthalene |
| InChI Key | NQMUGNMMFTYOHK-UHFFFAOYSA-N |
| Molecular Formula | C11H10O |
5-Bromo-1-indanone, 97+%
CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
| PubChem CID | 520695 |
|---|---|
| CAS | 34598-49-7 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00082718 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)Br |
| Synonym | 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane |
| IUPAC Name | 5-bromo-2,3-dihydroinden-1-one |
| InChI Key | KSONICAHAPRCMV-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
Phenanthrene-9-carboxaldehyde, 97%
CAS: 4707-71-5 Molecular Formula: C15H10O Molecular Weight (g/mol): 206.24 MDL Number: MFCD00001175 InChI Key: QECIGCMPORCORE-UHFFFAOYSA-N Synonym: 9-phenanthrenecarboxaldehyde,phenanthrene-9-carboxaldehyde,9-formylphenanthrene,phenanthrene-9-aldehyde,9-phenanthrenecarbaldehyde,9-phenanthrenealdehyde,9-phenanthrencarbaldehyd,9-phenanthraldehyde,9-phenanthrenaldehyde,phenanthren-9-aldehyd PubChem CID: 78437 IUPAC Name: phenanthrene-9-carbaldehyde SMILES: O=CC1=CC2=CC=CC=C2C2=CC=CC=C12
| PubChem CID | 78437 |
|---|---|
| CAS | 4707-71-5 |
| Molecular Weight (g/mol) | 206.24 |
| MDL Number | MFCD00001175 |
| SMILES | O=CC1=CC2=CC=CC=C2C2=CC=CC=C12 |
| Synonym | 9-phenanthrenecarboxaldehyde,phenanthrene-9-carboxaldehyde,9-formylphenanthrene,phenanthrene-9-aldehyde,9-phenanthrenecarbaldehyde,9-phenanthrenealdehyde,9-phenanthrencarbaldehyd,9-phenanthraldehyde,9-phenanthrenaldehyde,phenanthren-9-aldehyd |
| IUPAC Name | phenanthrene-9-carbaldehyde |
| InChI Key | QECIGCMPORCORE-UHFFFAOYSA-N |
| Molecular Formula | C15H10O |
Thermo Scientific Chemicals D-Sorbose, 98%
CAS: 3615-56-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00151095 InChI Key: LKDRXBCSQODPBY-IANNHFEVSA-N Synonym: d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose PubChem CID: 107428 ChEBI: CHEBI:13022 SMILES: OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O
| PubChem CID | 107428 |
|---|---|
| CAS | 3615-56-3 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:13022 |
| MDL Number | MFCD00151095 |
| SMILES | OCC1(O)OC[C@@H](O)[C@H](O)[C@H]1O |
| Synonym | d-sorbose,keto-d-sorbose,unii-jj09461njs,3r,4s,5r-1,3,4,5,6-pentahydroxyhexan-2-one,xylo-hexulose,sorbose, d,d-sor,d-xylo-hex-2-ulose,d-+-sorbose |
| InChI Key | LKDRXBCSQODPBY-IANNHFEVSA-N |
| Molecular Formula | C6H12O6 |
Glyoxal dimethyl acetal, 60% aq. soln.
CAS: 51673-84-8 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00134410 InChI Key: OGFKTAMJLKHRAZ-UHFFFAOYSA-N Synonym: acetaldehyde, dimethoxy,dimethoxyacetaldehyde,dimethoxy acetaldehyde,glyoxal dimethylacetal,glyoxal dimethyl acetal,60 wt. % in h2o,acetaldehyde, 2,2-dimethoxy,2,2-dimethoxyethanal,glyoxaldimethylacetal,dimethoxyethanal PubChem CID: 162650 IUPAC Name: 2,2-dimethoxyacetaldehyde SMILES: COC(C=O)OC
| PubChem CID | 162650 |
|---|---|
| CAS | 51673-84-8 |
| Molecular Weight (g/mol) | 104.105 |
| MDL Number | MFCD00134410 |
| SMILES | COC(C=O)OC |
| Synonym | acetaldehyde, dimethoxy,dimethoxyacetaldehyde,dimethoxy acetaldehyde,glyoxal dimethylacetal,glyoxal dimethyl acetal,60 wt. % in h2o,acetaldehyde, 2,2-dimethoxy,2,2-dimethoxyethanal,glyoxaldimethylacetal,dimethoxyethanal |
| IUPAC Name | 2,2-dimethoxyacetaldehyde |
| InChI Key | OGFKTAMJLKHRAZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
ethyle2-(5-bromo-2-thienyl)-2-oxoacetate, 97%, Thermo Scientific™
CAS: 22098-10-8 Molecular Formula: C8H7BrO3S Molecular Weight (g/mol): 263.105 MDL Number: MFCD00085056 InChI Key: PMBGHMBDWGNJJE-UHFFFAOYSA-N Synonym: ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester PubChem CID: 2736376 IUPAC Name: ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CC=C(S1)Br
| PubChem CID | 2736376 |
|---|---|
| CAS | 22098-10-8 |
| Molecular Weight (g/mol) | 263.105 |
| MDL Number | MFCD00085056 |
| SMILES | CCOC(=O)C(=O)C1=CC=C(S1)Br |
| Synonym | ethyl 2-5-bromothiophen-2-yl-2-oxoacetate,ethyl 5-bromothien-2-yl glyoxylate,ethyl 2-5-bromo-2-thienyl-2-oxoacetate,ethyl 5-bromothiophene-2-glyoxylate,ethyl 5-bromo-2-thienyl glyoxylate,ethyl 2-5-bromothien-2-yl glyoxalate,ethyl 5-bromothiophen-2-yl oxo acetate,2-bromo-5-ethoxy oxo acetyl thiophene,5-bromothiophen-2-yl oxoacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(5-bromothiophen-2-yl)-2-oxoacetate |
| InChI Key | PMBGHMBDWGNJJE-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3S |
4-Nitrobenzo-18-crown-6, 99%
CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
| PubChem CID | 602198 |
|---|---|
| CAS | 53408-96-1 |
| Molecular Weight (g/mol) | 357.359 |
| MDL Number | MFCD00143207 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
| Synonym | 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene |
| InChI Key | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
| Molecular Formula | C16H23NO8 |