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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (24)
Complex Aldehydes (15)
Dicarbonyl Compounds (3)
Alpha beta-unsaturated carbonyl compounds (2)

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1

4-(Hexyloxy)benzaldehyde 98.0+%, TCI America™

CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O

PubChem CID 79816
CAS 5736-94-7
Molecular Weight (g/mol) 206.285
MDL Number MFCD00016615
SMILES CCCCCCOC1=CC=C(C=C1)C=O
Synonym 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde
IUPAC Name 4-hexoxybenzaldehyde
InChI Key GWXUVWKBVROFDM-UHFFFAOYSA-N
Molecular Formula C13H18O2
2
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6-Benzoylhexanoic acid, 94%, Thermo Scientific Chemicals

CAS: 7472-43-7 Molecular Formula: C13H16O3 Molecular Weight (g/mol): 220.27 MDL Number: MFCD00039608 InChI Key: DOQWHEUDAHLEPT-UHFFFAOYSA-N Synonym: 6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo PubChem CID: 344830 IUPAC Name: 7-oxo-7-phenylheptanoic acid SMILES: OC(=O)CCCCCC(=O)C1=CC=CC=C1

PubChem CID 344830
CAS 7472-43-7
Molecular Weight (g/mol) 220.27
MDL Number MFCD00039608
SMILES OC(=O)CCCCCC(=O)C1=CC=CC=C1
Synonym 6-benzoylhexanoic acid,7-oxo-7-phenyl-heptanoic acid,6-benzoyl hexanoic acid,benzeneheptanoic acid, z-oxo,7-oxo-7-phenylheptanoicacid,#,benzeneheptanoic acid,,ae-oxo,alpha-oxo benzeneheptanoic acid,benzeneheptanoic acid,alpha-oxo
IUPAC Name 7-oxo-7-phenylheptanoic acid
InChI Key DOQWHEUDAHLEPT-UHFFFAOYSA-N
Molecular Formula C13H16O3
3
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Methyl 3-trifluoromethylbenzoylacetate, 95%, Thermo Scientific™

CAS: 93618-66-7 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.19 MDL Number: MFCD00216522 InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N Synonym: methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester PubChem CID: 735880 IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate SMILES: COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F

PubChem CID 735880
CAS 93618-66-7
Molecular Weight (g/mol) 246.19
MDL Number MFCD00216522
SMILES COC(=O)CC(=O)C1=CC=CC(=C1)C(F)(F)F
Synonym methyl 3-oxo-3-3-trifluoromethyl phenyl propanoate,methyl 3-trifluoromethyl benzoylacetate,methyl 3-trifluoromethyl benzoyl acetate,3-3-trifluoromethylphenyl-3-oxo-propionic acid methyl ester,3-oxo-3-3-trifluoromethyl-phenyl-propionic acid methyl ester,pubchem2695,methyl 3-trifluoromethylbenzoylacetate,methyl 3-oxo-3-3-trifluoromethylphenyl propanoate,3-oxo-3-3-trifluoromethylphenyl propionic acid methyl ester
IUPAC Name methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
InChI Key RPRMYRPHNDGZOY-UHFFFAOYSA-N
Molecular Formula C11H9F3O3
4
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2,2'-Furil, 98%

CAS: 492-94-4 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00003241 InChI Key: SXPUVBFQXJHYNS-UHFFFAOYSA-N Synonym: furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil PubChem CID: 68119 IUPAC Name: 1,2-bis(furan-2-yl)ethane-1,2-dione SMILES: C1=COC(=C1)C(=O)C(=O)C2=CC=CO2

PubChem CID 68119
CAS 492-94-4
Molecular Weight (g/mol) 190.154
MDL Number MFCD00003241
SMILES C1=COC(=C1)C(=O)C(=O)C2=CC=CO2
Synonym furil,alpha-furil,bipyromucyl,2,2'-furil,bipryomucyl,di-2-furylglyoxal,difuranylglyoxal,ethanedione, di-2-furanyl,di-2-furanylethanedione,a-furil
IUPAC Name 1,2-bis(furan-2-yl)ethane-1,2-dione
InChI Key SXPUVBFQXJHYNS-UHFFFAOYSA-N
Molecular Formula C10H6O4
5
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4-n-Hexyloxybenzaldehyde, 98%

CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O

PubChem CID 79816
CAS 5736-94-7
Molecular Weight (g/mol) 206.285
MDL Number MFCD00016615
SMILES CCCCCCOC1=CC=C(C=C1)C=O
Synonym 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde
IUPAC Name 4-hexoxybenzaldehyde
InChI Key GWXUVWKBVROFDM-UHFFFAOYSA-N
Molecular Formula C13H18O2
6
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4'-Methylpropiophenone, 94%

CAS: 5337-93-9 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00009312 InChI Key: PATYHUUYADUHQS-UHFFFAOYSA-N Synonym: 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone PubChem CID: 21429 ChEBI: CHEBI:59335 IUPAC Name: 1-(4-methylphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C)C=C1

PubChem CID 21429
CAS 5337-93-9
Molecular Weight (g/mol) 148.21
ChEBI CHEBI:59335
MDL Number MFCD00009312
SMILES CCC(=O)C1=CC=C(C)C=C1
Synonym 4'-methylpropiophenone,1-p-tolyl propan-1-one,p-methylpropiophenone,4-methylpropiophenone,1-4-methylphenyl propan-1-one,1-propanone, 1-4-methylphenyl,p-tolyl ethyl ketone,p-methyl propiophenone,1-p-tolylpropan-1-one,1-4-methylphenyl-1-propanone
IUPAC Name 1-(4-methylphenyl)propan-1-one
InChI Key PATYHUUYADUHQS-UHFFFAOYSA-N
Molecular Formula C10H12O
7

5-Chloro-1-indanone 97.0+%, TCI America™

CAS: 42348-86-7 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00041456 InChI Key: MEDSHTHCZIOVPU-UHFFFAOYSA-N Synonym: 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone PubChem CID: 142599 IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-1-one SMILES: ClC1=CC=C2C(=O)CCC2=C1

PubChem CID 142599
CAS 42348-86-7
Molecular Weight (g/mol) 166.60
MDL Number MFCD00041456
SMILES ClC1=CC=C2C(=O)CCC2=C1
Synonym 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone
IUPAC Name 5-chloro-2,3-dihydro-1H-inden-1-one
InChI Key MEDSHTHCZIOVPU-UHFFFAOYSA-N
Molecular Formula C9H7ClO
8

2-Bromo-3'-nitroacetophenone 97.0+%, TCI America™

CAS: 2227-64-7 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.044 MDL Number: MFCD00024512 InChI Key: GZHPNIQBPGUSSX-UHFFFAOYSA-N Synonym: 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide PubChem CID: 75213 IUPAC Name: 2-bromo-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr

PubChem CID 75213
CAS 2227-64-7
Molecular Weight (g/mol) 244.044
MDL Number MFCD00024512
SMILES C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CBr
Synonym 2-bromo-1-3-nitrophenyl ethanone,2-bromo-3'-nitroacetophenone,3-nitrophenacyl bromide,3-nitrophenacylbromide,2-bromo-1-3-nitrophenyl ethan-1-one,a-bromo-3-nitroacetophenone,2-bromo-3-nitroacetophenone,alpha-bromo-3'-nitroacetophenone,acetophenone, 2-bromo-3'-nitro,m-nitrophenacyl bromide
IUPAC Name 2-bromo-1-(3-nitrophenyl)ethanone
InChI Key GZHPNIQBPGUSSX-UHFFFAOYSA-N
Molecular Formula C8H6BrNO3
9
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Methyl vinyl ketone, tech. 90%, stab.

CAS: 78-94-4 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00008777 InChI Key: FUSUHKVFWTUUBE-UHFFFAOYSA-N Synonym: methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone PubChem CID: 6570 ChEBI: CHEBI:48058 IUPAC Name: but-3-en-2-one SMILES: CC(=O)C=C

PubChem CID 6570
CAS 78-94-4
Molecular Weight (g/mol) 70.09
ChEBI CHEBI:48058
MDL Number MFCD00008777
SMILES CC(=O)C=C
Synonym methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone
IUPAC Name but-3-en-2-one
InChI Key FUSUHKVFWTUUBE-UHFFFAOYSA-N
Molecular Formula C4H6O
10
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Heptaldehyde, 95%, stabilized

CAS: 111-71-7 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00007028 InChI Key: FXHGMKSSBGDXIY-UHFFFAOYSA-N Synonym: heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal PubChem CID: 8130 ChEBI: CHEBI:34787 IUPAC Name: heptanal SMILES: CCCCCCC=O

PubChem CID 8130
CAS 111-71-7
Molecular Weight (g/mol) 114.19
ChEBI CHEBI:34787
MDL Number MFCD00007028
SMILES CCCCCCC=O
Synonym heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal
IUPAC Name heptanal
InChI Key FXHGMKSSBGDXIY-UHFFFAOYSA-N
Molecular Formula C7H14O
11
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Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

PubChem CID 701
CAS 609-14-3
Molecular Weight (g/mol) 144.17
MDL Number MFCD00009164
SMILES CCOC(=O)C(C)C(=O)C
Synonym ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name ethyl 2-methyl-3-oxobutanoate
InChI Key FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula C7H12O3
12
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3',4'-Difluoroacetophenone, 98%

CAS: 369-33-5 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009891 InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N Synonym: 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo PubChem CID: 123052 IUPAC Name: 1-(3,4-difluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)F

PubChem CID 123052
CAS 369-33-5
Molecular Weight (g/mol) 156.132
MDL Number MFCD00009891
SMILES CC(=O)C1=CC(=C(C=C1)F)F
Synonym 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo
IUPAC Name 1-(3,4-difluorophenyl)ethanone
InChI Key VWJSSJFLXRMYNV-UHFFFAOYSA-N
Molecular Formula C8H6F2O
13
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Nonyl aldehyde, 95%, Thermo Scientific Chemicals

CAS: 124-19-6 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00007030 InChI Key: GYHFUZHODSMOHU-UHFFFAOYSA-N Synonym: pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde PubChem CID: 31289 ChEBI: CHEBI:84268 IUPAC Name: nonanal SMILES: CCCCCCCCC=O

PubChem CID 31289
CAS 124-19-6
Molecular Weight (g/mol) 142.24
ChEBI CHEBI:84268
MDL Number MFCD00007030
SMILES CCCCCCCCC=O
Synonym pelargonaldehyde,1-nonanal,nonanaldehyde,nonyl aldehyde,n-nonaldehyde,nonylic aldehyde,nonylaldehyde,nonaldehyde,n-nonanal,1-nonaldehyde
IUPAC Name nonanal
InChI Key GYHFUZHODSMOHU-UHFFFAOYSA-N
Molecular Formula C9H18O
14
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2-(4-Pyridyl)malondialdehyde, 95%

CAS: 51076-46-1 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.15 MDL Number: MFCD00216535 InChI Key: RYYVVCNGQOENKM-UHFFFAOYSA-N Synonym: 2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial PubChem CID: 2737246 IUPAC Name: 2-pyridin-4-ylpropanedial SMILES: C1=CN=CC=C1C(C=O)C=O

PubChem CID 2737246
CAS 51076-46-1
Molecular Weight (g/mol) 149.15
MDL Number MFCD00216535
SMILES C1=CN=CC=C1C(C=O)C=O
Synonym 2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial
IUPAC Name 2-pyridin-4-ylpropanedial
InChI Key RYYVVCNGQOENKM-UHFFFAOYSA-N
Molecular Formula C8H7NO2
15
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4-Hexyloxybenzaldehyde, 99%, Thermo Scientific™

CAS: 5736-94-7 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.28 MDL Number: MFCD00016615 InChI Key: GWXUVWKBVROFDM-UHFFFAOYSA-N Synonym: 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde PubChem CID: 79816 IUPAC Name: 4-hexoxybenzaldehyde SMILES: CCCCCCOC1=CC=C(C=C1)C=O

PubChem CID 79816
CAS 5736-94-7
Molecular Weight (g/mol) 206.28
MDL Number MFCD00016615
SMILES CCCCCCOC1=CC=C(C=C1)C=O
Synonym 4-hexyloxy benzaldehyde,4-hexyloxybenzaldehyde,4-n-hexyloxybenzaldehyde,p-hexyloxybenzaldehyde,benzaldehyde, 4-hexyloxy,benzaldehyde, p-hexyloxy,p-hexyloxy benzaldehyde,p-hexoxybenzaldehyde,4-hexyloxbenzaldehyde,p-n-hexyloxybenzaldehyde
IUPAC Name 4-hexoxybenzaldehyde
InChI Key GWXUVWKBVROFDM-UHFFFAOYSA-N
Molecular Formula C13H18O2