Carbonyl compounds
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4'-Methoxypropiophenone 97.0+%, TCI America™
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CAS: 121-97-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009310 InChI Key: ZJVAWPKTWVFKHG-UHFFFAOYSA-N PubChem CID: 67144 IUPAC Name: 1-(4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(C=C1)OC
| PubChem CID | 67144 |
|---|---|
| CAS | 121-97-1 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009310 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OC |
| IUPAC Name | 1-(4-methoxyphenyl)propan-1-one |
| InChI Key | ZJVAWPKTWVFKHG-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Ethyl 2-(Ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate 96.0+%, TCI America™
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CAS: 571-55-1 Molecular Formula: C9H11F3O4 Molecular Weight (g/mol): 240.178 MDL Number: MFCD02677683 InChI Key: XNGGOXOLHQANRB-AATRIKPKSA-N Synonym: ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester PubChem CID: 6185754 IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC=C(C(=O)C(F)(F)F)C(=O)OCC
| PubChem CID | 6185754 |
|---|---|
| CAS | 571-55-1 |
| Molecular Weight (g/mol) | 240.178 |
| MDL Number | MFCD02677683 |
| SMILES | CCOC=C(C(=O)C(F)(F)F)C(=O)OCC |
| Synonym | ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate,e-ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate,ethyl 2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoate,ethyl ethoxymethylene-3-oxo-4,4,4-trifluoro-butyrate,ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutanoate,ethyl 2e-3-ethoxy-2-2,2,2-trifluoroacetyl prop-2-enoate,2e-2-ethoxymethylidene-4,4,4-trifluoro-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl (2E)-2-(ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate |
| InChI Key | XNGGOXOLHQANRB-AATRIKPKSA-N |
| Molecular Formula | C9H11F3O4 |
Biphenyl-2,2'-dicarboxaldehyde 97.0+%, TCI America™
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CAS: 1210-05-5 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.232 MDL Number: MFCD00142732 InChI Key: HJFGULDHUDIPDA-UHFFFAOYSA-N Synonym: 2,2′C-Diformylbiphenyl, Diphenaldehyde, Diphenyl-2,2′C-dicarboxaldehyde PubChem CID: 14585 IUPAC Name: 2-(2-formylphenyl)benzaldehyde SMILES: C1=CC=C(C(=C1)C=O)C2=CC=CC=C2C=O
| PubChem CID | 14585 |
|---|---|
| CAS | 1210-05-5 |
| Molecular Weight (g/mol) | 210.232 |
| MDL Number | MFCD00142732 |
| SMILES | C1=CC=C(C(=C1)C=O)C2=CC=CC=C2C=O |
| Synonym | 2,2′C-Diformylbiphenyl, Diphenaldehyde, Diphenyl-2,2′C-dicarboxaldehyde |
| IUPAC Name | 2-(2-formylphenyl)benzaldehyde |
| InChI Key | HJFGULDHUDIPDA-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
2-Acetyl-3-ethylpyrazine 98.0+%, TCI America™
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CAS: 32974-92-8 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.181 MDL Number: MFCD00038028 InChI Key: PPJSYGVFDJEMRP-UHFFFAOYSA-N Synonym: 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine PubChem CID: 61918 IUPAC Name: 1-(3-ethylpyrazin-2-yl)ethanone SMILES: CCC1=NC=CN=C1C(=O)C
| PubChem CID | 61918 |
|---|---|
| CAS | 32974-92-8 |
| Molecular Weight (g/mol) | 150.181 |
| MDL Number | MFCD00038028 |
| SMILES | CCC1=NC=CN=C1C(=O)C |
| Synonym | 2-acetyl-3-ethylpyrazine,1-3-ethylpyrazin-2-yl ethanone,ethanone, 1-3-ethylpyrazinyl,2-acetyl-3-ethyl-1,4-diazine,1-3-ethylpyrazinyl ethan-1-one,unii-aq03n14xtl,1-3-ethylpyrazinyl ethanone,1-3-ethyl-2-pyrazinyl ethanone,3-ethyl-2-acetylpyrazine,2-acetyl-3-ethyl pyrazine |
| IUPAC Name | 1-(3-ethylpyrazin-2-yl)ethanone |
| InChI Key | PPJSYGVFDJEMRP-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
4,6-Diacetylresorcinol 98.0+%, TCI America™
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CAS: 2161-85-5 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00017655 InChI Key: GEYCQLIOGQPPFM-UHFFFAOYSA-N Synonym: 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone PubChem CID: 75097 IUPAC Name: 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(C(C)=O)=C(O)C=C1O
| PubChem CID | 75097 |
|---|---|
| CAS | 2161-85-5 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD00017655 |
| SMILES | CC(=O)C1=CC(C(C)=O)=C(O)C=C1O |
| Synonym | 4,6-diacetylresorcinol,resodiacetophenone,1,1'-4,6-dihydroxy-1,3-phenylene bisethanone,ethanone, 1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethanone,1,1'-4,6-dihydroxy-1,3-phenylene diethanone,1,3-diacetyl-4,6-dihydroxybenzene,ethanone,1,1'-4,6-dihydroxy-1,3-phenylene bis,1-5-acetyl-2,4-dihydroxyphenyl ethan-1-one,1,1'-4,6-dihydroxy-1,3-phenylene-bis-ethanone |
| IUPAC Name | 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one |
| InChI Key | GEYCQLIOGQPPFM-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
4-Acetylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 3702122 |
|---|---|
| CAS | 149104-90-5 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (4-acetylphenyl)boronic acid |
| InChI Key | OBQRODBYVNIZJU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BO3 |
| Formula Weight | 163.97 |
| Melting Point | 239°C |
Methyl 2,4-Dioxo-4-(2-thienyl)butyrate 98.0+%, TCI America™
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CAS: 57409-51-5 Molecular Formula: C9H8O4S Molecular Weight (g/mol): 212.22 MDL Number: MFCD01249731 InChI Key: TZNHHDJRXUBHRB-ALCCZGGFSA-N Synonym: methyl 2,4-dioxo-4-thiophen-2-yl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid methyl ester,methyl 2,4-dioxo-4-thien-2-ylbutanoate,methyl 2,4-dioxo-4-2-thienyl butanoate,methyl 2,4-dioxo-4-2-thienyl butyrate,methyl 2-thienoylpyruvate,methyl 4-2-thienyl-2,4-dioxobutanoate,methyl 2,4-dioxo-4-thien-2-yl butanoate,methyl2,4-dioxo-4-thiophen-2-yl butanoate,2-thiophenebutanoicacid, a,g-dioxo-, methyl ester PubChem CID: 2771673 IUPAC Name: methyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate SMILES: COC(=O)C(\O)=C\C(=O)C1=CC=CS1
| PubChem CID | 2771673 |
|---|---|
| CAS | 57409-51-5 |
| Molecular Weight (g/mol) | 212.22 |
| MDL Number | MFCD01249731 |
| SMILES | COC(=O)C(\O)=C\C(=O)C1=CC=CS1 |
| Synonym | methyl 2,4-dioxo-4-thiophen-2-yl butanoate,2,4-dioxo-4-thiophen-2-yl-butyric acid methyl ester,methyl 2,4-dioxo-4-thien-2-ylbutanoate,methyl 2,4-dioxo-4-2-thienyl butanoate,methyl 2,4-dioxo-4-2-thienyl butyrate,methyl 2-thienoylpyruvate,methyl 4-2-thienyl-2,4-dioxobutanoate,methyl 2,4-dioxo-4-thien-2-yl butanoate,methyl2,4-dioxo-4-thiophen-2-yl butanoate,2-thiophenebutanoicacid, a,g-dioxo-, methyl ester |
| IUPAC Name | methyl (2Z)-2-hydroxy-4-oxo-4-(thiophen-2-yl)but-2-enoate |
| InChI Key | TZNHHDJRXUBHRB-ALCCZGGFSA-N |
| Molecular Formula | C9H8O4S |
2-Acetylnaphtho[2,3-b]furan-4,9-dione 98.0+%, TCI America™
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CAS: 83280-65-3 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.21 MDL Number: MFCD28155270 InChI Key: DPHUWDIXHNQOSY-UHFFFAOYSA-N Synonym: Napabucasin PubChem CID: 10331844 IUPAC Name: 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione SMILES: CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 10331844 |
|---|---|
| CAS | 83280-65-3 |
| Molecular Weight (g/mol) | 240.21 |
| MDL Number | MFCD28155270 |
| SMILES | CC(=O)C1=CC2=C(O1)C(=O)C1=CC=CC=C1C2=O |
| Synonym | Napabucasin |
| IUPAC Name | 2-acetyl-4H,9H-naphtho[2,3-b]furan-4,9-dione |
| InChI Key | DPHUWDIXHNQOSY-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
2,4-Dichlorobenzaldehyde 95.0+%, TCI America™
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CAS: 874-42-0 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.008 MDL Number: MFCD00003305 InChI Key: YSFBEAASFUWWHU-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 PubChem CID: 13404 IUPAC Name: 2,4-dichlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)Cl)C=O
| PubChem CID | 13404 |
|---|---|
| CAS | 874-42-0 |
| Molecular Weight (g/mol) | 175.008 |
| MDL Number | MFCD00003305 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=O |
| Synonym | benzaldehyde, 2,4-dichloro,unii-z08ql2124r,ccris 6013,2,4-dichloro benzaldehyde,2,4-dichloro-benzaldehyde,acmc-209qnb,dsstox_cid_2130,2,4 dichloro benzaldehyde,2,4-di-chlorobenzaldehyde,dsstox_rid_76500 |
| IUPAC Name | 2,4-dichlorobenzaldehyde |
| InChI Key | YSFBEAASFUWWHU-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
Isovanillin 98.0+%, TCI America™
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CAS: 621-59-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00003369 InChI Key: JVTZFYYHCGSXJV-UHFFFAOYSA-N Synonym: isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde PubChem CID: 12127 IUPAC Name: 3-hydroxy-4-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)C=O)O
| PubChem CID | 12127 |
|---|---|
| CAS | 621-59-0 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00003369 |
| SMILES | COC1=C(C=C(C=C1)C=O)O |
| Synonym | isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde |
| IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
| InChI Key | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3,4-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 139-85-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00003370 InChI Key: IBGBGRVKPALMCQ-UHFFFAOYSA-N Synonym: protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t PubChem CID: 8768 ChEBI: CHEBI:50205 IUPAC Name: 3,4-dihydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)O)O
| PubChem CID | 8768 |
|---|---|
| CAS | 139-85-5 |
| Molecular Weight (g/mol) | 138.122 |
| ChEBI | CHEBI:50205 |
| MDL Number | MFCD00003370 |
| SMILES | C1=CC(=C(C=C1C=O)O)O |
| Synonym | protocatechualdehyde,rancinamycin iv,protocatechuic aldehyde,benzaldehyde, 3,4-dihydroxy,3,4-dihydroxybenzenecarbonal,4-formyl-1,2-dihydroxybenzene,3,4-dihydroxy-benzaldehyde,4-formyl-1,2-benzenediol,1,2-dihydroxy-4-formylbenzene,unii-4pvp2hch4t |
| IUPAC Name | 3,4-dihydroxybenzaldehyde |
| InChI Key | IBGBGRVKPALMCQ-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2',4'-Difluoroacetophenone 98.0+%, TCI America™
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CAS: 364-83-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00151261 InChI Key: QEWHNJPLPZOEKU-UHFFFAOYSA-N Synonym: 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 PubChem CID: 67770 IUPAC Name: 1-(2,4-difluorophenyl)ethanone SMILES: CC(=O)C1=C(C=C(C=C1)F)F
| PubChem CID | 67770 |
|---|---|
| CAS | 364-83-0 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00151261 |
| SMILES | CC(=O)C1=C(C=C(C=C1)F)F |
| Synonym | 2',4'-difluoroacetophenone,1-2,4-difluorophenyl ethanone,2,4-difluoroacetophenone,1-2,4-difluorophenyl ethan-1-one,ethanone, 1-2,4-difluorophenyl,1-2,4-difluoro-phenyl-ethanone,1-acetyl-2,4-difluorobenzene,acetophenone, 2',4'-difluoro,1-2,4-difluorphenyl ethanon,pubchem4213 |
| IUPAC Name | 1-(2,4-difluorophenyl)ethanone |
| InChI Key | QEWHNJPLPZOEKU-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
Dibenzyl Malonate 95.0+%, TCI America™
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CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
| PubChem CID | 84754 |
|---|---|
| CAS | 15014-25-2 |
| Molecular Weight (g/mol) | 284.311 |
| MDL Number | MFCD00004779 |
| SMILES | C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2 |
| IUPAC Name | dibenzyl propanedioate |
| InChI Key | RYFCSKVXWRJEOB-UHFFFAOYSA-N |
| Molecular Formula | C17H16O4 |
3',4'-Dichloroacetophenone 98.0+%, TCI America™
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CAS: 2642-63-9 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000553 InChI Key: WBPAOUHWPONFEQ-UHFFFAOYSA-N Synonym: 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone PubChem CID: 75841 IUPAC Name: 1-(3,4-dichlorophenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 75841 |
|---|---|
| CAS | 2642-63-9 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000553 |
| SMILES | CC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| Synonym | 3',4'-dichloroacetophenone,1-3,4-dichlorophenyl ethanone,3,4-dichloroacetophenone,1-3,4-dichlorophenyl ethan-1-one,ethanone, 1-3,4-dichlorophenyl,acetophenone, 3',4'-dichloro,1-acetyl-3,4-dichlorobenzene,3,4 dichloro acetophenone,pubchem3383,3,4-dicloroacetophenone |
| IUPAC Name | 1-(3,4-dichlorophenyl)ethan-1-one |
| InChI Key | WBPAOUHWPONFEQ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
Sodium 4-Acetylbenzenesulfonate 98.0+%, TCI America™
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CAS: 61827-67-6 Molecular Formula: C8H7NaO4S Molecular Weight (g/mol): 222.19 MDL Number: MFCD00007510 InChI Key: PUWCULQGLSPCMQ-UHFFFAOYSA-M Synonym: 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt PubChem CID: 23668814 IUPAC Name: sodium;4-acetylbenzenesulfonate SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23668814 |
|---|---|
| CAS | 61827-67-6 |
| Molecular Weight (g/mol) | 222.19 |
| MDL Number | MFCD00007510 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetylbenzenesulfonate |
| InChI Key | PUWCULQGLSPCMQ-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO4S |