Organic acids and derivatives
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3-Pyridinesulfonic acid, 98%
CAS: 636-73-7 Molecular Formula: C5H4NO3S Molecular Weight (g/mol): 158.15 MDL Number: MFCD00006381 InChI Key: DVECLMOWYVDJRM-UHFFFAOYSA-M Synonym: 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 PubChem CID: 69468 IUPAC Name: pyridine-3-sulfonic acid SMILES: [O-]S(=O)(=O)C1=CC=CN=C1
| PubChem CID | 69468 |
|---|---|
| CAS | 636-73-7 |
| Molecular Weight (g/mol) | 158.15 |
| MDL Number | MFCD00006381 |
| SMILES | [O-]S(=O)(=O)C1=CC=CN=C1 |
| Synonym | 3-pyridinesulfonic acid,pyridine-3-sulphonic acid,3-pyridylsulfonic acid,3-pyridine sulfonic acid,3-sulfopyridine,beta-sulfopyridine,3-pyridinesulfonicacid,pubchem9608,pyridin-3-sulfonic acid,acmc-209nh7 |
| IUPAC Name | pyridine-3-sulfonic acid |
| InChI Key | DVECLMOWYVDJRM-UHFFFAOYSA-M |
| Molecular Formula | C5H4NO3S |
3,5-Dimethyl-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 113808-86-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00159642 InChI Key: IOOWDXMXZBYKLR-UHFFFAOYSA-N Synonym: 3,5-dimethylpyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylic acid, 3,5-dimethyl,1h-pyrazole-4-carboxylicacid, 3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-carboxylicacid,acmc-20a7j9,pyrazole carboxylic acid 1,ksc173i7f,3,5-dimethylpyrazole-4-carboxylic,3,5-dimethylpyrazole-4-carboxylicacid,1h-pyrazole-4-carboxylicacid,3,5-dimethyl PubChem CID: 2776164 IUPAC Name: 3,5-dimethyl-1H-pyrazole-4-carboxylic acid SMILES: CC1=C(C(=NN1)C)C(=O)O
| PubChem CID | 2776164 |
|---|---|
| CAS | 113808-86-9 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00159642 |
| SMILES | CC1=C(C(=NN1)C)C(=O)O |
| Synonym | 3,5-dimethylpyrazole-4-carboxylic acid,1h-pyrazole-4-carboxylic acid, 3,5-dimethyl,1h-pyrazole-4-carboxylicacid, 3,5-dimethyl,3,5-dimethyl-1h-pyrazole-4-carboxylicacid,acmc-20a7j9,pyrazole carboxylic acid 1,ksc173i7f,3,5-dimethylpyrazole-4-carboxylic,3,5-dimethylpyrazole-4-carboxylicacid,1h-pyrazole-4-carboxylicacid,3,5-dimethyl |
| IUPAC Name | 3,5-dimethyl-1H-pyrazole-4-carboxylic acid |
| InChI Key | IOOWDXMXZBYKLR-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
N-(2-Bromoethyl)phthalimide, 97+%
CAS: 574-98-1 Molecular Formula: C10H8BrNO2 Molecular Weight (g/mol): 254.083 MDL Number: MFCD00005902 InChI Key: CHZXTOCAICMPQR-UHFFFAOYSA-N Synonym: n-2-bromoethyl phthalimide,2-2-bromoethyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-2-bromoethyl,2-2-bromoethyl-1h-isoindole-1,3 2h-dione,beta-bromoethylphthalimide,2-bromoethyl phthalimide,1-bromo-2-phthalimidoethane,beta-phthalimidoethyl bromide,n-2-bromoethyl-phthalimide,2-2-bromo-ethyl-isoindole-1,3-dione PubChem CID: 11325 IUPAC Name: 2-(2-bromoethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr
| PubChem CID | 11325 |
|---|---|
| CAS | 574-98-1 |
| Molecular Weight (g/mol) | 254.083 |
| MDL Number | MFCD00005902 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCBr |
| Synonym | n-2-bromoethyl phthalimide,2-2-bromoethyl isoindoline-1,3-dione,1h-isoindole-1,3 2h-dione, 2-2-bromoethyl,2-2-bromoethyl-1h-isoindole-1,3 2h-dione,beta-bromoethylphthalimide,2-bromoethyl phthalimide,1-bromo-2-phthalimidoethane,beta-phthalimidoethyl bromide,n-2-bromoethyl-phthalimide,2-2-bromo-ethyl-isoindole-1,3-dione |
| IUPAC Name | 2-(2-bromoethyl)isoindole-1,3-dione |
| InChI Key | CHZXTOCAICMPQR-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrNO2 |
8-Ethoxyquinoline-5-sulfonic acid monohydrate, 99%
CAS: 15301-40-3 Molecular Formula: C11H11NO4S Molecular Weight (g/mol): 253.27 MDL Number: MFCD00065059 InChI Key: YAMVZYRZAMBCED-UHFFFAOYSA-N Synonym: actinoquinol,8-ethoxy-5-quinolinesulfonic acid,5-quinolinesulfonic acid, 8-ethoxy,unii-470vqe23o3,8-ethoxy-5-chinolinsulfonsaeure,actinochinolum,actinoquinolum,actinoquinol inn,actinoquinolum inn-latin,sodium tequinol PubChem CID: 23674 IUPAC Name: 8-ethoxyquinoline-5-sulfonic acid SMILES: CCOC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O
| PubChem CID | 23674 |
|---|---|
| CAS | 15301-40-3 |
| Molecular Weight (g/mol) | 253.27 |
| MDL Number | MFCD00065059 |
| SMILES | CCOC1=C2N=CC=CC2=C(C=C1)S(O)(=O)=O |
| Synonym | actinoquinol,8-ethoxy-5-quinolinesulfonic acid,5-quinolinesulfonic acid, 8-ethoxy,unii-470vqe23o3,8-ethoxy-5-chinolinsulfonsaeure,actinochinolum,actinoquinolum,actinoquinol inn,actinoquinolum inn-latin,sodium tequinol |
| IUPAC Name | 8-ethoxyquinoline-5-sulfonic acid |
| InChI Key | YAMVZYRZAMBCED-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO4S |
Ethyl 3-(2-thienyl)-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™
CAS: 121195-03-7 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.262 MDL Number: MFCD07772880 InChI Key: NTCRDZSJYGZRIE-UHFFFAOYSA-N Synonym: ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811 PubChem CID: 2736478 IUPAC Name: ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(=C1)C2=CC=CS2
| PubChem CID | 2736478 |
|---|---|
| CAS | 121195-03-7 |
| Molecular Weight (g/mol) | 222.262 |
| MDL Number | MFCD07772880 |
| SMILES | CCOC(=O)C1=NNC(=C1)C2=CC=CS2 |
| Synonym | ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811 |
| IUPAC Name | ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate |
| InChI Key | NTCRDZSJYGZRIE-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2S |
Sodium 1-tetradecyl sulfate, 95%, cont. up to ca 5% sodium methyl sulfate
CAS: 1191-50-0 Molecular Formula: C14H29NaO4S Molecular Weight (g/mol): 316.43 MDL Number: MFCD00007468 InChI Key: UPUIQOIQVMNQAP-UHFFFAOYSA-M Synonym: sodium tetradecyl sulfate,sodium myristyl sulfate,niaproof 4,sodium tetradecyl sulphate,tesapon k 14,texapon k 14,trombavar,natri tetradecylsulfas,sotradecol sodium,tetradecyl sodium sulfate PubChem CID: 23665770 IUPAC Name: sodium;tetradecyl sulfate SMILES: [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O
| PubChem CID | 23665770 |
|---|---|
| CAS | 1191-50-0 |
| Molecular Weight (g/mol) | 316.43 |
| MDL Number | MFCD00007468 |
| SMILES | [Na+].CCCCCCCCCCCCCCOS([O-])(=O)=O |
| Synonym | sodium tetradecyl sulfate,sodium myristyl sulfate,niaproof 4,sodium tetradecyl sulphate,tesapon k 14,texapon k 14,trombavar,natri tetradecylsulfas,sotradecol sodium,tetradecyl sodium sulfate |
| IUPAC Name | sodium;tetradecyl sulfate |
| InChI Key | UPUIQOIQVMNQAP-UHFFFAOYSA-M |
| Molecular Formula | C14H29NaO4S |
Ethyl 2-bromoisobutyrate, 98+%
CAS: 600-00-0 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000123 InChI Key: IOLQWGVDEFWYNP-UHFFFAOYSA-N Synonym: ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester PubChem CID: 11745 IUPAC Name: ethyl 2-bromo-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)Br
| PubChem CID | 11745 |
|---|---|
| CAS | 600-00-0 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00000123 |
| SMILES | CCOC(=O)C(C)(C)Br |
| Synonym | ethyl 2-bromoisobutyrate,ethyl 2-bromo-2-methylpropionate,ethyl alpha-bromoisobutyrate,ethyl .alpha.-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, ethyl ester,2-bromo-2-methylpropanoic acid, ethyl ester,ethyl-2-bromoisobutyrate,propanoic acid, bromo-2-methyl-, ethyl ester,ethyl 2-bromo-2-methyl-propanoate,propionic acid, 2-bromo-2-methyl-, ethyl ester |
| IUPAC Name | ethyl 2-bromo-2-methylpropanoate |
| InChI Key | IOLQWGVDEFWYNP-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO2 |
Methyl methylsulfonylacetate, 98+%
CAS: 62020-09-1 Molecular Formula: C4H8O4S Molecular Weight (g/mol): 152.16 MDL Number: MFCD00051842 InChI Key: RQKDASVRZONLNQ-UHFFFAOYSA-N Synonym: methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester PubChem CID: 2759918 SMILES: COC(=O)CS(C)(=O)=O
| PubChem CID | 2759918 |
|---|---|
| CAS | 62020-09-1 |
| Molecular Weight (g/mol) | 152.16 |
| MDL Number | MFCD00051842 |
| SMILES | COC(=O)CS(C)(=O)=O |
| Synonym | methyl methanesulfonylacetate,methyl 2-methanesulfonylacetate,methyl 2-methylsulfonyl acetate,methyl methylsulfonylacetate,methanesulfonylacetic acid methyl ester,acmc-1b4fd,methyl methylsulfonyl acetate,2-methylsulfonyl-1-methoxyethanone,methylsulfonylacetic acid methyl ester,methanesulfonyl acetic acid methyl ester |
| InChI Key | RQKDASVRZONLNQ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O4S |
1,1-Dimethylurea, 98+%
CAS: 598-94-7 Molecular Formula: C3H8N2O Molecular Weight (g/mol): 88.11 MDL Number: MFCD00007959 InChI Key: YBBLOADPFWKNGS-UHFFFAOYSA-N Synonym: n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea PubChem CID: 11737 IUPAC Name: 1,1-dimethylurea SMILES: CN(C)C(=O)N
| PubChem CID | 11737 |
|---|---|
| CAS | 598-94-7 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00007959 |
| SMILES | CN(C)C(=O)N |
| Synonym | n,n-dimethylurea,urea, n,n-dimethyl,asym-dimethylurea,urea, dimethyl,urea, 1,1-dimethyl,n,n-dimethylharnstoff german,n,n-dimethylharnstoff,dimethyl urea,1.1-dimethylurea,1,1-dimethyl-urea |
| IUPAC Name | 1,1-dimethylurea |
| InChI Key | YBBLOADPFWKNGS-UHFFFAOYSA-N |
| Molecular Formula | C3H8N2O |
Ethyl 1-(hydroxymethyl)cyclopentanecarboxylate, 97%, Thermo Scientific Chemicals
CAS: 1075-82-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD12022629 InChI Key: AUUICUZWYQYTNO-UHFFFAOYSA-N Synonym: ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester PubChem CID: 46172884 IUPAC Name: ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate SMILES: CCOC(=O)C1(CCCC1)CO
| PubChem CID | 46172884 |
|---|---|
| CAS | 1075-82-7 |
| Molecular Weight (g/mol) | 172.224 |
| MDL Number | MFCD12022629 |
| SMILES | CCOC(=O)C1(CCCC1)CO |
| Synonym | ethyl 1-hydroxymethyl cyclopentanecarboxylate,ethyl 1-hydroxymethyl cyclopentane-1-carboxylate,1-hydroxymethyl-cyclopentanecarboxylic acid ethyl ester |
| IUPAC Name | ethyl 1-(hydroxymethyl)cyclopentane-1-carboxylate |
| InChI Key | AUUICUZWYQYTNO-UHFFFAOYSA-N |
| Molecular Formula | C9H16O3 |
Urea, Ultrapure, 99.5%, Spectrum™ Chemical
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CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N IUPAC Name: urea SMILES: NC(N)=O
| CAS | 57-13-6 |
|---|---|
| Molecular Weight (g/mol) | 60.06 |
| SMILES | NC(N)=O |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Ethyl (ethoxymethylene)cyanoacetate, 98%
CAS: 94-05-3 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00009136 InChI Key: KTMGNAIGXYODKQ-SREVYHEPSA-N Synonym: ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate PubChem CID: 1715183 IUPAC Name: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate SMILES: CCO\C=C(\C#N)C(=O)OCC
| PubChem CID | 1715183 |
|---|---|
| CAS | 94-05-3 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD00009136 |
| SMILES | CCO\C=C(\C#N)C(=O)OCC |
| Synonym | ethyl ethoxymethylene cyanoacetate,e-ethyl 2-cyano-3-ethoxyacrylate,ethyl 2-cyano-3-ethoxyacrylate,ethyl 3-ethoxy-2-cyanoacrylate,ethyl 2e-2-cyano-3-ethoxyprop-2-enoate,ethyl cyano ethoxymethylene acetate,2-propenoic acid, 2-cyano-3-ethoxy-, ethyl ester,2-cyano-3-ethoxy-2-propenoic acid ethyl ester,2-cyano-3-ethoxyacrylic acid ethyl ester,ethyl 2e-2-cyano-3-ethoxy-2-propenoate |
| IUPAC Name | ethyl (E)-2-cyano-3-ethoxyprop-2-enoate |
| InChI Key | KTMGNAIGXYODKQ-SREVYHEPSA-N |
| Molecular Formula | C8H11NO3 |
N-Formylmorpholine, 99%
CAS: 4394-85-8 Molecular Formula: C5H9NO2 Molecular Weight (g/mol): 115.13 MDL Number: MFCD00006170 InChI Key: LCEDQNDDFOCWGG-UHFFFAOYSA-N Synonym: 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin PubChem CID: 20417 ChEBI: CHEBI:43989 IUPAC Name: morpholine-4-carbaldehyde SMILES: C1COCCN1C=O
| PubChem CID | 20417 |
|---|---|
| CAS | 4394-85-8 |
| Molecular Weight (g/mol) | 115.13 |
| ChEBI | CHEBI:43989 |
| MDL Number | MFCD00006170 |
| SMILES | C1COCCN1C=O |
| Synonym | 4-formylmorpholine,n-formylmorpholine,4-morpholinecarboxaldehyde,morpholine, 4-formyl,n-formylmorfolin,4-morpholinecarbaldehyde,n-formylmorfolin czech,unii-d1e63xo4rh,n-formyhnorpholine,n-formyl morpholin |
| IUPAC Name | morpholine-4-carbaldehyde |
| InChI Key | LCEDQNDDFOCWGG-UHFFFAOYSA-N |
| Molecular Formula | C5H9NO2 |
Hydroxylamine Sulfate, ACS, 99%, Spectrum™ Chemical
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CAS: 10039-54-0 Molecular Formula: H8N2O6S Molecular Weight (g/mol): 164.13 InChI Key: VGYYSIDKAKXZEE-UHFFFAOYSA-L IUPAC Name: bis(hydroxyazanium) sulfate SMILES: [NH3+]O.[NH3+]O.[O-]S([O-])(=O)=O
| CAS | 10039-54-0 |
|---|---|
| Molecular Weight (g/mol) | 164.13 |
| SMILES | [NH3+]O.[NH3+]O.[O-]S([O-])(=O)=O |
| IUPAC Name | bis(hydroxyazanium) sulfate |
| InChI Key | VGYYSIDKAKXZEE-UHFFFAOYSA-L |
| Molecular Formula | H8N2O6S |
Sodium 1-heptanesulfonate monohydrate, 99%
CAS: 207300-90-1 Molecular Formula: C7H17NaO4S Molecular Weight (g/mol): 220.259 MDL Number: MFCD00149550 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]
| PubChem CID | 23687711 |
|---|---|
| CAS | 207300-90-1 |
| Molecular Weight (g/mol) | 220.259 |
| MDL Number | MFCD00149550 |
| SMILES | CCCCCCCS(=O)(=O)[O-].O.[Na+] |
| Synonym | sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc |
| IUPAC Name | sodium;heptane-1-sulfonate;hydrate |
| InChI Key | XWZCREJRXRKIRQ-UHFFFAOYSA-M |
| Molecular Formula | C7H17NaO4S |