Organic compounds
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3-Methyl-1-pentyn-3-ol 98.0+%, TCI America™
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CAS: 77-75-8 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.15 MDL Number: MFCD00004479 InChI Key: QXLPXWSKPNOQLE-UHFFFAOYNA-N Synonym: 3-methyl-1-pentyn-3-ol,meparfynol,methylpentynol,methylparafynol,seral,atemorin,melpintol,1-pentyn-3-ol, 3-methyl,allotropal,methylpentinol PubChem CID: 6494 IUPAC Name: 3-methylpent-1-yn-3-ol SMILES: CCC(C)(O)C#C
| PubChem CID | 6494 |
|---|---|
| CAS | 77-75-8 |
| Molecular Weight (g/mol) | 98.15 |
| MDL Number | MFCD00004479 |
| SMILES | CCC(C)(O)C#C |
| Synonym | 3-methyl-1-pentyn-3-ol,meparfynol,methylpentynol,methylparafynol,seral,atemorin,melpintol,1-pentyn-3-ol, 3-methyl,allotropal,methylpentinol |
| IUPAC Name | 3-methylpent-1-yn-3-ol |
| InChI Key | QXLPXWSKPNOQLE-UHFFFAOYNA-N |
| Molecular Formula | C6H10O |
1-Benzyl-4-cyano-4-phenylpiperidine Hydrochloride 98.0+%, TCI America™
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CAS: 71258-18-9 Molecular Formula: C19H21ClN2 Molecular Weight (g/mol): 312.841 MDL Number: MFCD00035361 InChI Key: SPXFNRMZPRHYRH-UHFFFAOYSA-N Synonym: 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride,1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride,1-benzyl-4-cyano-4-phenylpiperidine hcl,1-n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,4-phenyl-1-benzylpiperidine-4-carbonitrile, chloride,4-phenyl-1-phenylmethyl-4-piperidinecarbonitrile hydrochloride,pubchem13098,acmc-1bfv8,c19h20n2.clh PubChem CID: 12652062 IUPAC Name: 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride SMILES: C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl
| PubChem CID | 12652062 |
|---|---|
| CAS | 71258-18-9 |
| Molecular Weight (g/mol) | 312.841 |
| MDL Number | MFCD00035361 |
| SMILES | C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3.Cl |
| Synonym | 1-benzyl-4-cyano-4-phenylpiperidine hydrochloride,1-benzyl-4-phenylpiperidine-4-carbonitrile hydrochloride,1-benzyl-4-cyano-4-phenylpiperidine hcl,1-n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,n-benzyl-4-cyano-4-phenylpiperidine hydrochloride,4-phenyl-1-benzylpiperidine-4-carbonitrile, chloride,4-phenyl-1-phenylmethyl-4-piperidinecarbonitrile hydrochloride,pubchem13098,acmc-1bfv8,c19h20n2.clh |
| IUPAC Name | 1-benzyl-4-phenylpiperidine-4-carbonitrile;hydrochloride |
| InChI Key | SPXFNRMZPRHYRH-UHFFFAOYSA-N |
| Molecular Formula | C19H21ClN2 |
N-(p-Tolyl)-1-naphthylamine 96.0+%, TCI America™
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CAS: 634-43-5 Molecular Formula: C17H15N Molecular Weight (g/mol): 233.314 InChI Key: RWYRKFWBKGQTLU-UHFFFAOYSA-N Synonym: 1-(p-Toluidino)naphthalene PubChem CID: 235835 IUPAC Name: N-(4-methylphenyl)naphthalen-1-amine SMILES: CC1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32
| PubChem CID | 235835 |
|---|---|
| CAS | 634-43-5 |
| Molecular Weight (g/mol) | 233.314 |
| SMILES | CC1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32 |
| Synonym | 1-(p-Toluidino)naphthalene |
| IUPAC Name | N-(4-methylphenyl)naphthalen-1-amine |
| InChI Key | RWYRKFWBKGQTLU-UHFFFAOYSA-N |
| Molecular Formula | C17H15N |
Isophorone Oxide 97.0+%, TCI America™
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CAS: 10276-21-8 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00085465 InChI Key: ROTNQFPVXVZSRL-UHFFFAOYSA-N Synonym: 3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone, 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one PubChem CID: 25121 IUPAC Name: 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one SMILES: CC1(CC(=O)C2C(C1)(O2)C)C
| PubChem CID | 25121 |
|---|---|
| CAS | 10276-21-8 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00085465 |
| SMILES | CC1(CC(=O)C2C(C1)(O2)C)C |
| Synonym | 3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone, 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one |
| IUPAC Name | 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one |
| InChI Key | ROTNQFPVXVZSRL-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
3,5-Dimethoxybenzoic Acid 98.0+%, TCI America™
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CAS: 1132-21-4 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00002502 InChI Key: IWPZKOJSYQZABD-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy PubChem CID: 14332 IUPAC Name: 3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1)C(O)=O
| PubChem CID | 14332 |
|---|---|
| CAS | 1132-21-4 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00002502 |
| SMILES | COC1=CC(=CC(OC)=C1)C(O)=O |
| Synonym | benzoic acid, 3,5-dimethoxy,unii-38my78eckk,3,5-dimethoxy benzoic acid,38my78eckk,pubchem3121,3,5-dimethoxybenzoicacid,acmc-1c4zl,3,5-dimethoxy-benzoic acid,ksc176m0p,benzoicacid, 3,5-dimethoxy |
| IUPAC Name | 3,5-dimethoxybenzoic acid |
| InChI Key | IWPZKOJSYQZABD-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
3'-Methoxyphenacyl Bromide 99.0+%, TCI America™
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CAS: 5000-65-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00000199 InChI Key: IOOHBIFQNQQUFI-UHFFFAOYSA-N Synonym: 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide PubChem CID: 101294 IUPAC Name: 2-bromo-1-(3-methoxyphenyl)ethanone SMILES: COC1=CC=CC(=C1)C(=O)CBr
| PubChem CID | 101294 |
|---|---|
| CAS | 5000-65-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00000199 |
| SMILES | COC1=CC=CC(=C1)C(=O)CBr |
| Synonym | 2-bromo-1-3-methoxyphenyl ethanone,2-bromo-3'-methoxyacetophenone,m-methoxyphenacyl bromide,3'-methoxyphenacyl bromide,3-bromoacetyl anisole,2-bromo-1-3-methoxyphenyl ethan-1-one,3-methoxyphenacyl bromide,bromomethyl 3-methoxyphenyl ketone,ccris 7998,3-methoxyphenacylbromide |
| IUPAC Name | 2-bromo-1-(3-methoxyphenyl)ethanone |
| InChI Key | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
(S)-(+)-2-Amino-1-propanol 98.0+%, TCI America™
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CAS: 2749-11-3 Molecular Formula: C3H10NO Molecular Weight (g/mol): 76.12 MDL Number: MFCD00064412 InChI Key: BKMMTJMQCTUHRP-VKHMYHEASA-O Synonym: l-alaninol,s-+-2-amino-1-propanol,s-2-aminopropan-1-ol,2s-2-aminopropan-1-ol,h-alaninol,alaninol,s-2-amino-1-propanol,+-2-aminopropan-1-ol,2-aminopropanol, +,unii-v403gh89l1 PubChem CID: 80307 ChEBI: CHEBI:78502 IUPAC Name: (2S)-2-aminopropan-1-ol SMILES: CC(CO)N
| PubChem CID | 80307 |
|---|---|
| CAS | 2749-11-3 |
| Molecular Weight (g/mol) | 76.12 |
| ChEBI | CHEBI:78502 |
| MDL Number | MFCD00064412 |
| SMILES | CC(CO)N |
| Synonym | l-alaninol,s-+-2-amino-1-propanol,s-2-aminopropan-1-ol,2s-2-aminopropan-1-ol,h-alaninol,alaninol,s-2-amino-1-propanol,+-2-aminopropan-1-ol,2-aminopropanol, +,unii-v403gh89l1 |
| IUPAC Name | (2S)-2-aminopropan-1-ol |
| InChI Key | BKMMTJMQCTUHRP-VKHMYHEASA-O |
| Molecular Formula | C3H10NO |
3-Bromo-6-chlorochromone 98.0+%, TCI America™
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CAS: 73220-38-9 Molecular Formula: C9H4BrClO2 Molecular Weight (g/mol): 259.48 MDL Number: MFCD02093123 InChI Key: ZILSBPAUJJBEFF-UHFFFAOYSA-N Synonym: 3-bromo-6-chloro-4h-chromen-4-one,3-bromo-6-chlorochromone,4h-1-benzopyran-4-one,3-bromo-6-chloro,3-bromo-6-chloro chromone,3-bromo-6-chloro-4-oxo-4h-1-benzopyran,3-bromo-6-chloro-4h-1-benzopyran-4-one PubChem CID: 3498945 IUPAC Name: 3-bromo-6-chloro-4H-chromen-4-one SMILES: ClC1=CC=C2OC=C(Br)C(=O)C2=C1
| PubChem CID | 3498945 |
|---|---|
| CAS | 73220-38-9 |
| Molecular Weight (g/mol) | 259.48 |
| MDL Number | MFCD02093123 |
| SMILES | ClC1=CC=C2OC=C(Br)C(=O)C2=C1 |
| Synonym | 3-bromo-6-chloro-4h-chromen-4-one,3-bromo-6-chlorochromone,4h-1-benzopyran-4-one,3-bromo-6-chloro,3-bromo-6-chloro chromone,3-bromo-6-chloro-4-oxo-4h-1-benzopyran,3-bromo-6-chloro-4h-1-benzopyran-4-one |
| IUPAC Name | 3-bromo-6-chloro-4H-chromen-4-one |
| InChI Key | ZILSBPAUJJBEFF-UHFFFAOYSA-N |
| Molecular Formula | C9H4BrClO2 |
Glycidyl Isopropyl Ether 96.0+%, TCI America™
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CAS: 4016-14-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00005139 InChI Key: NWLUZGJDEZBBRH-UHFFFAOYSA-N Synonym: glycidyl isopropyl ether,isopropyl glycidyl ether,2,3-epoxypropyl isopropyl ether,isopropoxymethyl oxirane,2-isopropoxymethyl oxirane,3-isopropyloxypropylene oxide,3-isopropoxy-1,2-epoxypropane,isopropyl epoxypropyl ether,propane, 1,2-epoxy-3-isopropoxy,oxirane, 1-methylethoxy methyl PubChem CID: 19920 IUPAC Name: 2-(propan-2-yloxymethyl)oxirane SMILES: CC(C)OCC1CO1
| PubChem CID | 19920 |
|---|---|
| CAS | 4016-14-2 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00005139 |
| SMILES | CC(C)OCC1CO1 |
| Synonym | glycidyl isopropyl ether,isopropyl glycidyl ether,2,3-epoxypropyl isopropyl ether,isopropoxymethyl oxirane,2-isopropoxymethyl oxirane,3-isopropyloxypropylene oxide,3-isopropoxy-1,2-epoxypropane,isopropyl epoxypropyl ether,propane, 1,2-epoxy-3-isopropoxy,oxirane, 1-methylethoxy methyl |
| IUPAC Name | 2-(propan-2-yloxymethyl)oxirane |
| InChI Key | NWLUZGJDEZBBRH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Disodium alpha-Glycerophosphate Hydrate 85.0+%, TCI America™
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CAS: 1555-56-2 Molecular Formula: C3H7Na2O6P Molecular Weight (g/mol): 216.036 MDL Number: MFCD00035539 InChI Key: GEKBIENFFVFKRG-UHFFFAOYSA-L Synonym: sodium glycerophosphate,disodium alpha-glycerophosphate,alpha-glycerophosphoric acid disodium salt,1,2,3-propanetriol, mono dihydrogen phosphate , disodium salt,1,2,3-propanetriol, 1-dihydrogen phosphate , disodium salt,dipotassium glyceryl phosphate,1,2,3-propanetriol, 1-dihydrogen phosphate , sodium salt 1:2,1,2,3-propanetriol, mono dihydrogen phosphate , sodium salt 1:2,57-03-4 parent,sodium 1-glycerophosphate PubChem CID: 14754 IUPAC Name: disodium;2,3-dihydroxypropyl phosphate SMILES: C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+]
| PubChem CID | 14754 |
|---|---|
| CAS | 1555-56-2 |
| Molecular Weight (g/mol) | 216.036 |
| MDL Number | MFCD00035539 |
| SMILES | C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+] |
| Synonym | sodium glycerophosphate,disodium alpha-glycerophosphate,alpha-glycerophosphoric acid disodium salt,1,2,3-propanetriol, mono dihydrogen phosphate , disodium salt,1,2,3-propanetriol, 1-dihydrogen phosphate , disodium salt,dipotassium glyceryl phosphate,1,2,3-propanetriol, 1-dihydrogen phosphate , sodium salt 1:2,1,2,3-propanetriol, mono dihydrogen phosphate , sodium salt 1:2,57-03-4 parent,sodium 1-glycerophosphate |
| IUPAC Name | disodium;2,3-dihydroxypropyl phosphate |
| InChI Key | GEKBIENFFVFKRG-UHFFFAOYSA-L |
| Molecular Formula | C3H7Na2O6P |
Guanabenz Acetate 98.0+%, TCI America™
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CAS: 23256-50-0 Molecular Formula: C10H12Cl2N4O2 Molecular Weight (g/mol): 291.132 MDL Number: MFCD00153801 InChI Key: MCSPBPXATWBACD-UHFFFAOYSA-N Synonym: guanabenz wy-8678 acetate,2,6-dichlorobenzylidene-amino guanidine,acetic acid; 2-2,6-dichlorophenyl methylideneamino guanidine,n-2,6-dichlorophenyl methylidene amino guanidine; acetic acid PubChem CID: 6852405 IUPAC Name: acetic acid;2-[(2,6-dichlorophenyl)methylideneamino]guanidine SMILES: CC(=O)O.C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
| PubChem CID | 6852405 |
|---|---|
| CAS | 23256-50-0 |
| Molecular Weight (g/mol) | 291.132 |
| MDL Number | MFCD00153801 |
| SMILES | CC(=O)O.C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl |
| Synonym | guanabenz wy-8678 acetate,2,6-dichlorobenzylidene-amino guanidine,acetic acid; 2-2,6-dichlorophenyl methylideneamino guanidine,n-2,6-dichlorophenyl methylidene amino guanidine; acetic acid |
| IUPAC Name | acetic acid;2-[(2,6-dichlorophenyl)methylideneamino]guanidine |
| InChI Key | MCSPBPXATWBACD-UHFFFAOYSA-N |
| Molecular Formula | C10H12Cl2N4O2 |
Glutarimide 98.0+%, TCI America™
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CAS: 1121-89-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00006670 InChI Key: KNCYXPMJDCCGSJ-UHFFFAOYSA-N Synonym: glutarimide,2,6-piperidinedione,2,6-diketopiperidine,2,6-dioxopiperidine,acetylglycinamide impurity b,piperidin-2,6-dione,acmc-2099da,5-21-09-00557 beilstein handbook reference,2,6-piperidinedione 9ci PubChem CID: 70726 ChEBI: CHEBI:5435 IUPAC Name: piperidine-2,6-dione SMILES: O=C1CCCC(=O)N1
| PubChem CID | 70726 |
|---|---|
| CAS | 1121-89-7 |
| Molecular Weight (g/mol) | 113.12 |
| ChEBI | CHEBI:5435 |
| MDL Number | MFCD00006670 |
| SMILES | O=C1CCCC(=O)N1 |
| Synonym | glutarimide,2,6-piperidinedione,2,6-diketopiperidine,2,6-dioxopiperidine,acetylglycinamide impurity b,piperidin-2,6-dione,acmc-2099da,5-21-09-00557 beilstein handbook reference,2,6-piperidinedione 9ci |
| IUPAC Name | piperidine-2,6-dione |
| InChI Key | KNCYXPMJDCCGSJ-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
Hexafluorobenzene 99.0+%, TCI America™
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CAS: 392-56-3 Molecular Formula: C6F6 Molecular Weight (g/mol): 186.056 MDL Number: MFCD00000288 InChI Key: ZQBFAOFFOQMSGJ-UHFFFAOYSA-N Synonym: hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus PubChem CID: 9805 ChEBI: CHEBI:38589 IUPAC Name: 1,2,3,4,5,6-hexafluorobenzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)F
| PubChem CID | 9805 |
|---|---|
| CAS | 392-56-3 |
| Molecular Weight (g/mol) | 186.056 |
| ChEBI | CHEBI:38589 |
| MDL Number | MFCD00000288 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)F |
| Synonym | hexafluorobenzene,perfluorobenzene,benzene, hexafluoro,hexafluorbenzol,unii-cmc18t611k,benzene, 1,2,3,4,5,6-hexafluoro,hexa fluorobenzene,hexafluoro benzene,pubchem18879,acmc-1bmus |
| IUPAC Name | 1,2,3,4,5,6-hexafluorobenzene |
| InChI Key | ZQBFAOFFOQMSGJ-UHFFFAOYSA-N |
| Molecular Formula | C6F6 |
N-(2-Hydroxyethyl)ethylenediamine-N,N',N'-triacetic Acid 98.0+%, TCI America™
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CAS: 150-39-0 Molecular Formula: C10H15N2Na3O7 Molecular Weight (g/mol): 344.21 MDL Number: MFCD00004294 InChI Key: WHNXAQZPEBNFBC-UHFFFAOYSA-K Synonym: hedta,heedta,versenol,detarol,n-2-hydroxyethyl ethylenediaminetriacetic acid,chel dm acid,versenol 120,hamp-ol acid,2-hydroxyethyl ethylenediaminetriacetic acid,oxyethylethylenediaminetriacetic acid PubChem CID: 8773 IUPAC Name: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 8773 |
|---|---|
| CAS | 150-39-0 |
| Molecular Weight (g/mol) | 344.21 |
| MDL Number | MFCD00004294 |
| SMILES | [Na+].[Na+].[Na+].OCCN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | hedta,heedta,versenol,detarol,n-2-hydroxyethyl ethylenediaminetriacetic acid,chel dm acid,versenol 120,hamp-ol acid,2-hydroxyethyl ethylenediaminetriacetic acid,oxyethylethylenediaminetriacetic acid |
| IUPAC Name | trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(2-hydroxyethyl)amino)acetate |
| InChI Key | WHNXAQZPEBNFBC-UHFFFAOYSA-K |
| Molecular Formula | C10H15N2Na3O7 |
Sodium Gluconate 99.0+%, TCI America™
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.137 MDL Number: MFCD00064210 InChI Key: UPMFZISCCZSDND-JJKGCWMISA-M Synonym: sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t PubChem CID: 23672301 ChEBI: CHEBI:84997 IUPAC Name: sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate SMILES: C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+]
| PubChem CID | 23672301 |
|---|---|
| CAS | 527-07-1 |
| Molecular Weight (g/mol) | 218.137 |
| ChEBI | CHEBI:84997 |
| MDL Number | MFCD00064210 |
| SMILES | C(C(C(C(C(C(=O)[O-])O)O)O)O)O.[Na+] |
| Synonym | sodium gluconate,sodium d-gluconate,d-gluconic acid sodium salt,d-gluconic acid, monosodium salt,gluconic acid sodium salt,monosodium gluconate,glonsen,monosodium d-gluconate,gluconate sodium,pasexon 100t |
| IUPAC Name | sodium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-JJKGCWMISA-M |
| Molecular Formula | C6H11NaO7 |