Organic acids and derivatives
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2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate
CAS: 25265-77-4 Molecular Formula: C12H24O3 Molecular Weight (g/mol): 216.321 MDL Number: MFCD00148967 InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N Synonym: texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate PubChem CID: 6490 IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O
| PubChem CID | 6490 |
|---|---|
| CAS | 25265-77-4 |
| Molecular Weight (g/mol) | 216.321 |
| MDL Number | MFCD00148967 |
| SMILES | CC(C)C(C(C)(C)COC(=O)C(C)C)O |
| Synonym | texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate |
| IUPAC Name | (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate |
| InChI Key | DAFHKNAQFPVRKR-UHFFFAOYSA-N |
| Molecular Formula | C12H24O3 |
Trifluoromethanesulfonic acid, 98+%
CAS: 1493-13-6 Molecular Formula: CHF3O3S Molecular Weight (g/mol): 150.07 MDL Number: MFCD00007514 InChI Key: ITMCEJHCFYSIIV-UHFFFAOYSA-N Synonym: triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate PubChem CID: 62406 ChEBI: CHEBI:48511 IUPAC Name: trifluoromethanesulfonic acid SMILES: OS(=O)(=O)C(F)(F)F
| PubChem CID | 62406 |
|---|---|
| CAS | 1493-13-6 |
| Molecular Weight (g/mol) | 150.07 |
| ChEBI | CHEBI:48511 |
| MDL Number | MFCD00007514 |
| SMILES | OS(=O)(=O)C(F)(F)F |
| Synonym | triflic acid,perfluoromethanesulfonic acid,trifluoromethanesulphonic acid,tfmsa,trifluoromethane sulfonic acid,tfoh,methanesulfonic acid, trifluoro,hotf,trifluoromethylsulfonic acid,trimsylate |
| IUPAC Name | trifluoromethanesulfonic acid |
| InChI Key | ITMCEJHCFYSIIV-UHFFFAOYSA-N |
| Molecular Formula | CHF3O3S |
Dioctyl sulfosuccinate sodium salt, 96%
CAS: 577-11-7 Molecular Formula: C20H37NaO7S Molecular Weight (g/mol): 444.56 MDL Number: MFCD00012455 InChI Key: APSBXTVYXVQYAB-UHFFFAOYNA-M Synonym: docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin PubChem CID: 23673837 IUPAC Name: sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate SMILES: [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O
| PubChem CID | 23673837 |
|---|---|
| CAS | 577-11-7 |
| Molecular Weight (g/mol) | 444.56 |
| MDL Number | MFCD00012455 |
| SMILES | [Na+].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O |
| Synonym | docusate sodium,dioctyl sodium sulfosuccinate,aerosol ot,constonate,diox,manoxol ot,diomedicone,clestol,complemix,defilin |
| IUPAC Name | sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate |
| InChI Key | APSBXTVYXVQYAB-UHFFFAOYNA-M |
| Molecular Formula | C20H37NaO7S |
Disodium hydrogen citrate sesquihydrate, 99%
CAS: 5-4-6132 Molecular Formula: C12H18Na4O17 Molecular Weight (g/mol): 526.22 MDL Number: MFCD00150445 InChI Key: HGPVLOQNBSHYEI-UHFFFAOYNA-J Synonym: unii-cz1032cekr,cz1032cekr,sodium citrate dibasic sesquihydrate,disodium citrate sesquihydrate,disodium hydrogen citrate 1.5 h2o,sodium hydrogen citrate sesquihydrate,citric acid, disodium salt, sesquihydrate,tetrasodium, 3-carboxy-3-hydroxypentanedioate, trihydrate,sodium citrate dibasic sesquihydrate, purum p.a t,1,2,3-propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate 2:3 PubChem CID: 117063816 IUPAC Name: tetrasodium;2-(carboxymethyl)-2-hydroxybutanedioate;trihydrate SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Na+].[Na+].[Na+].[Na+]
| PubChem CID | 117063816 |
|---|---|
| CAS | 5-4-6132 |
| Molecular Weight (g/mol) | 526.22 |
| MDL Number | MFCD00150445 |
| SMILES | C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)O)C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.[Na+].[Na+].[Na+].[Na+] |
| Synonym | unii-cz1032cekr,cz1032cekr,sodium citrate dibasic sesquihydrate,disodium citrate sesquihydrate,disodium hydrogen citrate 1.5 h2o,sodium hydrogen citrate sesquihydrate,citric acid, disodium salt, sesquihydrate,tetrasodium, 3-carboxy-3-hydroxypentanedioate, trihydrate,sodium citrate dibasic sesquihydrate, purum p.a t,1,2,3-propanetricarboxylic acid, 2-hydroxy-, disodium salt, hydrate 2:3 |
| IUPAC Name | tetrasodium;2-(carboxymethyl)-2-hydroxybutanedioate;trihydrate |
| InChI Key | HGPVLOQNBSHYEI-UHFFFAOYNA-J |
| Molecular Formula | C12H18Na4O17 |
Isopropyl myristate, 96%
CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.45 MDL Number: MFCD00008982 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8042 |
|---|---|
| CAS | 110-27-0 |
| Molecular Weight (g/mol) | 270.45 |
| MDL Number | MFCD00008982 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
Methyl acrylate, 99%, stabilized
CAS: 96-33-3 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008627 InChI Key: BAPJBEWLBFYGME-UHFFFAOYSA-N Synonym: methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene PubChem CID: 7294 ChEBI: CHEBI:82482 IUPAC Name: methyl prop-2-enoate SMILES: COC(=O)C=C
| PubChem CID | 7294 |
|---|---|
| CAS | 96-33-3 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:82482 |
| MDL Number | MFCD00008627 |
| SMILES | COC(=O)C=C |
| Synonym | methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene |
| IUPAC Name | methyl prop-2-enoate |
| InChI Key | BAPJBEWLBFYGME-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Potassium hydrogen L-tartrate, 98+%
CAS: 868-14-4 Molecular Formula: C4H5KO6 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00065392,MFCD00071626,MFCD00064206 InChI Key: KYKNRZGSIGMXFH-ZVGUSBNCSA-M Synonym: potassium bitartrate,l +-potassium hydrogen tartrate,potassium 3-carboxy-2,3-dihydroxypropanoate,monopotassium tartrate,potassium acid tartrate,kaliumtartrat,potassium hydrogentartrate,1-potassium hydrogentartrate,ksc657e1t,butanedioic acid, 2,3-dihydroxy-2r,3r-, potassium salt 1:1 IUPAC Name: 2,3-dihydroxybutanedioic acid;potassium SMILES: [K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O
| CAS | 868-14-4 |
|---|---|
| Molecular Weight (g/mol) | 188.18 |
| MDL Number | MFCD00065392,MFCD00071626,MFCD00064206 |
| SMILES | [K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O |
| Synonym | potassium bitartrate,l +-potassium hydrogen tartrate,potassium 3-carboxy-2,3-dihydroxypropanoate,monopotassium tartrate,potassium acid tartrate,kaliumtartrat,potassium hydrogentartrate,1-potassium hydrogentartrate,ksc657e1t,butanedioic acid, 2,3-dihydroxy-2r,3r-, potassium salt 1:1 |
| IUPAC Name | 2,3-dihydroxybutanedioic acid;potassium |
| InChI Key | KYKNRZGSIGMXFH-ZVGUSBNCSA-M |
| Molecular Formula | C4H5KO6 |
Sodium 1-pentanesulfonate monohydrate, HPLC grade
CAS: 207605-40-1 Molecular Formula: C5H13NaO4S Molecular Weight (g/mol): 192.205 MDL Number: MFCD00007541 InChI Key: FPQYXAFKHLSWTI-UHFFFAOYSA-M Synonym: sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade PubChem CID: 23693099 IUPAC Name: sodium;pentane-1-sulfonate;hydrate SMILES: CCCCCS(=O)(=O)[O-].O.[Na+]
| PubChem CID | 23693099 |
|---|---|
| CAS | 207605-40-1 |
| Molecular Weight (g/mol) | 192.205 |
| MDL Number | MFCD00007541 |
| SMILES | CCCCCS(=O)(=O)[O-].O.[Na+] |
| Synonym | sodium pentane-1-sulfonate hydrate,1-pentanesulfonic acid sodium salt monohydrate,sodium 1-pentanesulfonate monohydrate,potassium hydrate pentane-1-sulfonate,sodium 1-pentanesulfonate hydrate,sodium hydrate pentane-1-sulfonate,sodium pentane-1-sulfonate-water 1/1/1,1-pentane sulphonic acid sodium salt monohydrate,1-pentanesulfonic acid sodium salt monohydydrate,sodium 1-pentanesulfonate monohydrate, hplc grade |
| IUPAC Name | sodium;pentane-1-sulfonate;hydrate |
| InChI Key | FPQYXAFKHLSWTI-UHFFFAOYSA-M |
| Molecular Formula | C5H13NaO4S |
Triethyl citrate, 99%
CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.285 MDL Number: MFCD00009201 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N Synonym: triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester PubChem CID: 6506 IUPAC Name: triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O
| PubChem CID | 6506 |
|---|---|
| CAS | 77-93-0 |
| Molecular Weight (g/mol) | 276.285 |
| MDL Number | MFCD00009201 |
| SMILES | CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O |
| Synonym | triethyl citrate,ethyl citrate,citroflex 2,eudraflex,hydragen cat,citric acid, triethyl ester,triaethylcitrat,triethylcitrate,citric acid triethyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, triethyl ester |
| IUPAC Name | triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Methyl p-toluenesulfonate, 97%
CAS: 80-48-8 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00008417 InChI Key: VUQUOGPMUUJORT-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester PubChem CID: 6645 IUPAC Name: methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
| PubChem CID | 6645 |
|---|---|
| CAS | 80-48-8 |
| Molecular Weight (g/mol) | 186.23 |
| MDL Number | MFCD00008417 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC |
| Synonym | methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester |
| IUPAC Name | methyl 4-methylbenzenesulfonate |
| InChI Key | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
tert-Butyl acetate, 99%
CAS: 540-88-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008807 InChI Key: WMOVHXAZOJBABW-UHFFFAOYSA-N Synonym: t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate PubChem CID: 10908 IUPAC Name: tert-butyl acetate SMILES: CC(=O)OC(C)(C)C
| PubChem CID | 10908 |
|---|---|
| CAS | 540-88-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008807 |
| SMILES | CC(=O)OC(C)(C)C |
| Synonym | t-butyl acetate,acetic acid tert-butyl ester,tert-butyl ethanoate,acetic acid, 1,1-dimethylethyl ester,texaco lead appreciator,acetic acid, tert-butyl ester,tert-butylacetate,tert butyl acetate,1,1-dimethylethyl acetate,1,1-dimethyl acetate |
| IUPAC Name | tert-butyl acetate |
| InChI Key | WMOVHXAZOJBABW-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Sodium 3-nitrobenzenesulfonate, 98%, water <2%
CAS: 127-68-4 Molecular Formula: C6H4NNaO5S Molecular Weight (g/mol): 225.15 MDL Number: MFCD00007490 InChI Key: LJRGBERXYNQPJI-UHFFFAOYSA-M Synonym: sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 PubChem CID: 31389 IUPAC Name: sodium;3-nitrobenzenesulfonate SMILES: C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]
| PubChem CID | 31389 |
|---|---|
| CAS | 127-68-4 |
| Molecular Weight (g/mol) | 225.15 |
| MDL Number | MFCD00007490 |
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-].[Na+] |
| Synonym | sodium 3-nitrobenzenesulfonate,3-nitrobenzenesulfonic acid sodium salt,sodium 3-nitrobenzenesulphonate,sodium m-nitrobenzenesulfonate,nitrol s,tiskan czech,ludigol,ludigol f,60,benzenesulfonic acid, 3-nitro-, sodium salt,unii-1f11sxj4c6 |
| IUPAC Name | sodium;3-nitrobenzenesulfonate |
| InChI Key | LJRGBERXYNQPJI-UHFFFAOYSA-M |
| Molecular Formula | C6H4NNaO5S |
Sodium n-octyl sulfate, 99%
CAS: 142-31-4 Molecular Formula: C8H17NaO4S Molecular Weight (g/mol): 232.27 MDL Number: MFCD00007470 InChI Key: WFRKJMRGXGWHBM-UHFFFAOYSA-M Synonym: sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt PubChem CID: 2735107 IUPAC Name: sodium;octyl sulfate SMILES: CCCCCCCCOS(=O)(=O)[O-].[Na+]
| PubChem CID | 2735107 |
|---|---|
| CAS | 142-31-4 |
| Molecular Weight (g/mol) | 232.27 |
| MDL Number | MFCD00007470 |
| SMILES | CCCCCCCCOS(=O)(=O)[O-].[Na+] |
| Synonym | sodium octyl sulfate,sodium n-octyl sulfate,sodium octyl sulphate,sipex ols,cycloryl os,duponol 80,sodium capryl sulfate,octyl sodium sulfate,sulfuric acid, monooctyl ester, sodium salt,octyl sulfate sodium salt |
| IUPAC Name | sodium;octyl sulfate |
| InChI Key | WFRKJMRGXGWHBM-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO4S |
Thermo Scientific Chemicals Urea, 99.5%, for molecular biology, DNAse, RNAse and Protease free
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 MDL Number: MFCD00008022 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.06 |
| ChEBI | CHEBI:48376 |
| MDL Number | MFCD00008022 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Thermo Scientific Chemicals Ethylenediaminetetraacetic acid, ferric sodium salt trihydrate, 98%, pure
CAS: 18154-32-0 Molecular Formula: C10H12FeN2NaO8·3H2O Molecular Weight (g/mol): 421.1 MDL Number: MFCD00798117 InChI Key: MKWYFZFMAMBPQK-UHFFFAOYSA-J Synonym: sodium feredetate,edta ferric sodium salt,calmosine,sodium ironedetate,edta iron iii sodium salt,ferisan,sytron,sequestrene nafe,sodium iron edta,ferric sodium edta PubChem CID: 27461 ChEBI: CHEBI:78292 IUPAC Name: sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+) SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3]
| PubChem CID | 27461 |
|---|---|
| CAS | 18154-32-0 |
| Molecular Weight (g/mol) | 421.1 |
| ChEBI | CHEBI:78292 |
| MDL Number | MFCD00798117 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Fe+3] |
| Synonym | sodium feredetate,edta ferric sodium salt,calmosine,sodium ironedetate,edta iron iii sodium salt,ferisan,sytron,sequestrene nafe,sodium iron edta,ferric sodium edta |
| IUPAC Name | sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;iron(3+) |
| InChI Key | MKWYFZFMAMBPQK-UHFFFAOYSA-J |
| Molecular Formula | C10H12FeN2NaO8·3H2O |