Organooxygen compounds
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Hexyl Ether 98.0+%, TCI America™
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CAS: 112-58-3 Molecular Formula: C12H26O Molecular Weight (g/mol): 186.34 MDL Number: MFCD00009525 InChI Key: BPIUIOXAFBGMNB-UHFFFAOYSA-N Synonym: dihexyl ether,hexyl ether,hexane, 1,1'-oxybis,n-hexyl ether,di-n-hexyl ether,ether, dihexyl,bis 1-hexyl ether,1,1'-oxybis hexane,1-hexyloxy hexane PubChem CID: 8198 IUPAC Name: 1-(hexyloxy)hexane SMILES: CCCCCCOCCCCCC
| PubChem CID | 8198 |
|---|---|
| CAS | 112-58-3 |
| Molecular Weight (g/mol) | 186.34 |
| MDL Number | MFCD00009525 |
| SMILES | CCCCCCOCCCCCC |
| Synonym | dihexyl ether,hexyl ether,hexane, 1,1'-oxybis,n-hexyl ether,di-n-hexyl ether,ether, dihexyl,bis 1-hexyl ether,1,1'-oxybis hexane,1-hexyloxy hexane |
| IUPAC Name | 1-(hexyloxy)hexane |
| InChI Key | BPIUIOXAFBGMNB-UHFFFAOYSA-N |
| Molecular Formula | C12H26O |
2-Bromo-13,13-dimethyl-6H-indeno[1,2-b]anthracene-6,11(13H)-dione 98.0+%, TCI America™
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CAS: 1196107-73-9 Molecular Formula: C23H15BrO2 Molecular Weight (g/mol): 403.275 MDL Number: MFCD20275103 InChI Key: NREMKCAHBDRWFB-UHFFFAOYSA-N PubChem CID: 58175361 SMILES: CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C
| PubChem CID | 58175361 |
|---|---|
| CAS | 1196107-73-9 |
| Molecular Weight (g/mol) | 403.275 |
| MDL Number | MFCD20275103 |
| SMILES | CC1(C2=CC3=C(C=C2C4=C1C=C(C=C4)Br)C(=O)C5=CC=CC=C5C3=O)C |
| InChI Key | NREMKCAHBDRWFB-UHFFFAOYSA-N |
| Molecular Formula | C23H15BrO2 |
Benzyl 4-Chlorophenyl Ketone 98.0+%, TCI America™
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CAS: 1889-71-0 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00016342 InChI Key: DXVALSKCLLBZEB-UHFFFAOYSA-N Synonym: benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by PubChem CID: 233840 IUPAC Name: 1-(4-chlorophenyl)-2-phenylethan-1-one SMILES: ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1
| PubChem CID | 233840 |
|---|---|
| CAS | 1889-71-0 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00016342 |
| SMILES | ClC1=CC=C(C=C1)C(=O)CC1=CC=CC=C1 |
| Synonym | benzyl 4-chlorophenyl ketone,1-4-chlorophenyl-2-phenylethanone,4'-chloro-2-phenylacetophenone,4-chlorodeoxybenzoin,1-4-chlorophenyl-2-phenylethan-1-one,1-4-chlorophenyl-2-phenyl-ethanone,4-chlorodesoxy benzoin,chlorodeoxybenzoin,deoxy-4-chlorobenzoin,acmc-20a6by |
| IUPAC Name | 1-(4-chlorophenyl)-2-phenylethan-1-one |
| InChI Key | DXVALSKCLLBZEB-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClO |
8-Hydroxyjulolidine-9-carboxaldehyde 96.0+%, TCI America™
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CAS: 63149-33-7 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00192477 InChI Key: NRZXBDYODHLZBF-UHFFFAOYSA-N Synonym: 8-hydroxy-1,2,3,5,6,7-hexahydropyrido 3,2,1-ij quinoline-9-carbaldehyde,8-hydroxyjulolidine-9-aldehyde,9-formyl-8-hydroxyjulolidine,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo ij quinolizine-9-carboxaldehyde,8-hydroxyjulolidine-9-carboxaldehyde,9-formyl-8-julolidinol,1h,5h-benzo ij quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo i,j quinolizine-9-carboxaldehyde,8-hydroxy-2,3,6,7-tetrahydro-1h,5h-pyrido 3,2,1-ij quinoline-9-carbaldehyde PubChem CID: 113099 SMILES: C1CC2=C3C(=C(C(=C2)C=O)O)CCCN3C1
| PubChem CID | 113099 |
|---|---|
| CAS | 63149-33-7 |
| Molecular Weight (g/mol) | 217.268 |
| MDL Number | MFCD00192477 |
| SMILES | C1CC2=C3C(=C(C(=C2)C=O)O)CCCN3C1 |
| Synonym | 8-hydroxy-1,2,3,5,6,7-hexahydropyrido 3,2,1-ij quinoline-9-carbaldehyde,8-hydroxyjulolidine-9-aldehyde,9-formyl-8-hydroxyjulolidine,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo ij quinolizine-9-carboxaldehyde,8-hydroxyjulolidine-9-carboxaldehyde,9-formyl-8-julolidinol,1h,5h-benzo ij quinolizine-9-carboxaldehyde, 2,3,6,7-tetrahydro-8-hydroxy,2,3,6,7-tetrahydro-8-hydroxy-1h,5h-benzo i,j quinolizine-9-carboxaldehyde,8-hydroxy-2,3,6,7-tetrahydro-1h,5h-pyrido 3,2,1-ij quinoline-9-carbaldehyde |
| InChI Key | NRZXBDYODHLZBF-UHFFFAOYSA-N |
| Molecular Formula | C13H15NO2 |
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 |
3-Methyl-3-penten-2-one 95.0+%, TCI America™
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CAS: 565-62-8 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00151839 InChI Key: ZAMCMCQRTZKGDX-SNAWJCMRSA-N Synonym: 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene PubChem CID: 5364579 IUPAC Name: (E)-3-methylpent-3-en-2-one SMILES: CC=C(C)C(=O)C
| PubChem CID | 5364579 |
|---|---|
| CAS | 565-62-8 |
| Molecular Weight (g/mol) | 98.145 |
| MDL Number | MFCD00151839 |
| SMILES | CC=C(C)C(=O)C |
| Synonym | 3-methyl-3-penten-2-one,e-3-methylpent-3-en-2-one,e-3-methyl-3-penten-2-one,unii-jbr4o01db2,jbr4o01db2,3-methyl-2-penten-4-one,3-penten-2-one, 3-methyl,3-methyl-3-pentene-2-one,2-acetyl-2-butene,3-methyl-4-oxopent-2-ene |
| IUPAC Name | (E)-3-methylpent-3-en-2-one |
| InChI Key | ZAMCMCQRTZKGDX-SNAWJCMRSA-N |
| Molecular Formula | C6H10O |
1,5-Dimethoxypentane 97.0+%, TCI America™
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CAS: 111-89-7 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD03613608 InChI Key: NFCBHIFOKVDBCJ-UHFFFAOYSA-N Synonym: Pentamethylene Glycol Dimethyl Ether, 1,5-Pentanediol Dimethyl Ether PubChem CID: 8145 IUPAC Name: 1,5-dimethoxypentane SMILES: COCCCCCOC
| PubChem CID | 8145 |
|---|---|
| CAS | 111-89-7 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD03613608 |
| SMILES | COCCCCCOC |
| Synonym | Pentamethylene Glycol Dimethyl Ether, 1,5-Pentanediol Dimethyl Ether |
| IUPAC Name | 1,5-dimethoxypentane |
| InChI Key | NFCBHIFOKVDBCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
2-Bromo-3-pentanone 95.0+%, TCI America™
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CAS: 815-52-1 Molecular Formula: C5H9BrO Molecular Weight (g/mol): 165.03 MDL Number: MFCD11036312 InChI Key: VUDTYIUNUSPULX-UHFFFAOYSA-N PubChem CID: 545092 IUPAC Name: 2-bromopentan-3-one SMILES: CCC(=O)C(C)Br
| PubChem CID | 545092 |
|---|---|
| CAS | 815-52-1 |
| Molecular Weight (g/mol) | 165.03 |
| MDL Number | MFCD11036312 |
| SMILES | CCC(=O)C(C)Br |
| IUPAC Name | 2-bromopentan-3-one |
| InChI Key | VUDTYIUNUSPULX-UHFFFAOYSA-N |
| Molecular Formula | C5H9BrO |
4-(Trifluoromethyl)cyclohexanemethanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 883731-58-6 Molecular Formula: C8H13F3O Molecular Weight (g/mol): 182.19 MDL Number: MFCD21324328,MFCD29054589 InChI Key: DYUAPKHFRXRMTL-UHFFFAOYSA-N PubChem CID: 44228198 IUPAC Name: [4-(trifluoromethyl)cyclohexyl]methanol SMILES: OCC1CCC(CC1)C(F)(F)F
| PubChem CID | 44228198 |
|---|---|
| CAS | 883731-58-6 |
| Molecular Weight (g/mol) | 182.19 |
| MDL Number | MFCD21324328,MFCD29054589 |
| SMILES | OCC1CCC(CC1)C(F)(F)F |
| IUPAC Name | [4-(trifluoromethyl)cyclohexyl]methanol |
| InChI Key | DYUAPKHFRXRMTL-UHFFFAOYSA-N |
| Molecular Formula | C8H13F3O |
2-Octen-4-one 96.0+%, TCI America™
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CAS: 4643-27-0 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00061023 InChI Key: FMDLEUPBHMCPQV-GQCTYLIASA-N Synonym: 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one PubChem CID: 5365891 IUPAC Name: (E)-oct-2-en-4-one SMILES: CCCCC(=O)C=CC
| PubChem CID | 5365891 |
|---|---|
| CAS | 4643-27-0 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00061023 |
| SMILES | CCCCC(=O)C=CC |
| Synonym | 2-octen-4-one,propenyl butyl ketone,butyl propenyl ketone,unii-c9nb51lmxt,2-octen-4-one natural,fema no. 3603,c9nb51lmxt,e-oct-2-en-4-one,2e-oct-2-en-4-one,2e-2-octen-4-one |
| IUPAC Name | (E)-oct-2-en-4-one |
| InChI Key | FMDLEUPBHMCPQV-GQCTYLIASA-N |
| Molecular Formula | C8H14O |
2-Bromo-2'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 54109-16-9 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.045 MDL Number: MFCD03094304 InChI Key: KWZCBMKXNYOQAK-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide PubChem CID: 2778430 IUPAC Name: 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F
| PubChem CID | 2778430 |
|---|---|
| CAS | 54109-16-9 |
| Molecular Weight (g/mol) | 267.045 |
| MDL Number | MFCD03094304 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)C(F)(F)F |
| Synonym | 2-trifluoromethyl phenacyl bromide,2-bromo-1-2-trifluoromethyl phenyl-1-ethanone,2-bromo-2'-trifluoromethyl acetophenone,2-bromo-1-2-trifluoromethyl-phenyl-ethanone,2-bromo-1-2-trifluoromethyl phenyl ethan-1-one,2-bromo-1-2-trifluoromethyl phenyl ethanone,ethanone, 2-bromo-1-2-trifluoromethyl phenyl,2-trifluoromethyphenacyl bromide,2-trifluoromethyl phenacylbromide |
| IUPAC Name | 2-bromo-1-[2-(trifluoromethyl)phenyl]ethanone |
| InChI Key | KWZCBMKXNYOQAK-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrF3O |
2-Chloro-5-methoxypyrimidine 98.0+%, TCI America™
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CAS: 22536-65-8 Molecular Formula: C5H5ClN2O Molecular Weight (g/mol): 144.558 MDL Number: MFCD08702770 InChI Key: RSUBGBZOMBTDTI-UHFFFAOYSA-N Synonym: pyrimidine, 2-chloro-5-methoxy,2-chloro-5-methoxy-pyrimidine,pubchem13187,acmc-20a0mo,2-chlor-5-methoxy-pyrimidine,ksc494k1t,2-chloranyl-5-methoxy-pyrimidine,2-chloro-5-methoxypyrimidine,pyrimidine, 2-chloro-5-methoxy-8ci,9ci PubChem CID: 589058 IUPAC Name: 2-chloro-5-methoxypyrimidine SMILES: COC1=CN=C(N=C1)Cl
| PubChem CID | 589058 |
|---|---|
| CAS | 22536-65-8 |
| Molecular Weight (g/mol) | 144.558 |
| MDL Number | MFCD08702770 |
| SMILES | COC1=CN=C(N=C1)Cl |
| Synonym | pyrimidine, 2-chloro-5-methoxy,2-chloro-5-methoxy-pyrimidine,pubchem13187,acmc-20a0mo,2-chlor-5-methoxy-pyrimidine,ksc494k1t,2-chloranyl-5-methoxy-pyrimidine,2-chloro-5-methoxypyrimidine,pyrimidine, 2-chloro-5-methoxy-8ci,9ci |
| IUPAC Name | 2-chloro-5-methoxypyrimidine |
| InChI Key | RSUBGBZOMBTDTI-UHFFFAOYSA-N |
| Molecular Formula | C5H5ClN2O |
4'-Acetamido-2'-methylacetophenone 98.0+%, TCI America™
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CAS: 34956-31-5 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD02258876 InChI Key: PTARWPNYVATTDE-UHFFFAOYSA-N Synonym: n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl PubChem CID: 2737381 IUPAC Name: N-(4-acetyl-3-methylphenyl)acetamide SMILES: CC(=O)NC1=CC(C)=C(C=C1)C(C)=O
| PubChem CID | 2737381 |
|---|---|
| CAS | 34956-31-5 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD02258876 |
| SMILES | CC(=O)NC1=CC(C)=C(C=C1)C(C)=O |
| Synonym | n-4-acetyl-3-methylphenyl acetamide,4'-acetamido-2'-methylacetophenone,4-acetamido-2-methylacetophenone,pubchem12562,4'-acetyl-3'-methylacetoanilide,n-4-acetyl-3-methyl-phenyl-acetamide,4\\'-acetamido-2\\'-methylacetophenone,n-4-ethanoyl-3-methyl-phenyl ethanamide,acetamide, n-4-acetyl-3-methylphenyl |
| IUPAC Name | N-(4-acetyl-3-methylphenyl)acetamide |
| InChI Key | PTARWPNYVATTDE-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
3,4-O-Isopropylidene-D-mannitol 96.0+%, TCI America™
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CAS: 3969-84-4 Molecular Formula: C9H18O6 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00075122 InChI Key: YCOMFYACDCWMMD-UHFFFAOYNA-N Synonym: 3,4-o-isopropylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl bis ethane-1,2-diol,1r-1-4r,5r-5-1r-1,2-dihydroxyethyl-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,oi4-o-isopropylidene-d-mannitol,d-mannitol-3,4-acetonide,3-o,4-o-isopropylidene-d-mannitol,3,4-isopropylidene-d-mannitol,3,4-o-1-methylethylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl diethane-1,2-diol PubChem CID: 7096260 IUPAC Name: 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol SMILES: CC1(C)OC(C(O)CO)C(O1)C(O)CO
| PubChem CID | 7096260 |
|---|---|
| CAS | 3969-84-4 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00075122 |
| SMILES | CC1(C)OC(C(O)CO)C(O1)C(O)CO |
| Synonym | 3,4-o-isopropylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl bis ethane-1,2-diol,1r-1-4r,5r-5-1r-1,2-dihydroxyethyl-2,2-dimethyl-1,3-dioxolan-4-yl ethane-1,2-diol,oi4-o-isopropylidene-d-mannitol,d-mannitol-3,4-acetonide,3-o,4-o-isopropylidene-d-mannitol,3,4-isopropylidene-d-mannitol,3,4-o-1-methylethylidene-d-mannitol,1r,1'r-1,1'-4r,5r-2,2-dimethyl-1,3-dioxolane-4,5-diyl diethane-1,2-diol |
| IUPAC Name | 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol |
| InChI Key | YCOMFYACDCWMMD-UHFFFAOYNA-N |
| Molecular Formula | C9H18O6 |
trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one 98.0+%, TCI America™
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CAS: 37951-12-5 Molecular Formula: C19H18O3 Molecular Weight (g/mol): 294.35 MDL Number: MFCD00014901 InChI Key: IOZVKDXPBWBUKY-LQIBPGRFSA-N Synonym: trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone PubChem CID: 715840 IUPAC Name: (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one SMILES: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC
| PubChem CID | 715840 |
|---|---|
| CAS | 37951-12-5 |
| Molecular Weight (g/mol) | 294.35 |
| MDL Number | MFCD00014901 |
| SMILES | COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC |
| Synonym | trans,trans-Bis(4-methoxybenzal)acetone, trans,trans-Bis(4-methoxybenzylidene)acetone, trans,trans-Bis(4-methoxystyryl) Ketone |
| IUPAC Name | (1E,4E)-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one |
| InChI Key | IOZVKDXPBWBUKY-LQIBPGRFSA-N |
| Molecular Formula | C19H18O3 |