Organic acids and derivatives
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Nickel(II) citrate hydrate, 98%
CAS: 6018-92-4 Molecular Formula: C12H10Ni3O14 Molecular Weight (g/mol): 554.28 MDL Number: MFCD00054366 InChI Key: UPPLJLAHMKABPR-UHFFFAOYSA-H Synonym: nickel ii citrate hydrate PubChem CID: 131881812 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel SMILES: [Ni++].[Ni++].[Ni++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 131881812 |
|---|---|
| CAS | 6018-92-4 |
| Molecular Weight (g/mol) | 554.28 |
| MDL Number | MFCD00054366 |
| SMILES | [Ni++].[Ni++].[Ni++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | nickel ii citrate hydrate |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel |
| InChI Key | UPPLJLAHMKABPR-UHFFFAOYSA-H |
| Molecular Formula | C12H10Ni3O14 |
Tributyl citrate, 99+%
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
| PubChem CID | 6507 |
|---|---|
| CAS | 77-94-1 |
| Molecular Weight (g/mol) | 360.45 |
| MDL Number | MFCD00027217 |
| SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
| Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
| IUPAC Name | tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H32O7 |
Carbetapentane citrate
CAS: 23142-01-0 Molecular Formula: C26H39NO10 Molecular Weight (g/mol): 525.595 MDL Number: MFCD00055697 InChI Key: AKJDEXBCRLOVTH-UHFFFAOYSA-N Synonym: carbetapentane citrate,pentoxyverine citrate,loucarbate,pentoxiverine citrate,carbetapentane citrate salt,toclase,toclase citrate,carbetapentone citrate,unii-4sh0mfj5hj PubChem CID: 90010 IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 90010 |
|---|---|
| CAS | 23142-01-0 |
| Molecular Weight (g/mol) | 525.595 |
| MDL Number | MFCD00055697 |
| SMILES | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | carbetapentane citrate,pentoxyverine citrate,loucarbate,pentoxiverine citrate,carbetapentane citrate salt,toclase,toclase citrate,carbetapentone citrate,unii-4sh0mfj5hj |
| IUPAC Name | 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | AKJDEXBCRLOVTH-UHFFFAOYSA-N |
| Molecular Formula | C26H39NO10 |
Triethyl 1,3,5-benzenetricarboxylate, 97%
CAS: 4105-92-4 Molecular Formula: C15H18O6 Molecular Weight (g/mol): 294.303 MDL Number: MFCD00236389 InChI Key: KXGOWZRHSOJOLF-UHFFFAOYSA-N Synonym: triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate PubChem CID: 226764 IUPAC Name: triethyl benzene-1,3,5-tricarboxylate SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC
| PubChem CID | 226764 |
|---|---|
| CAS | 4105-92-4 |
| Molecular Weight (g/mol) | 294.303 |
| MDL Number | MFCD00236389 |
| SMILES | CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC)C(=O)OCC |
| Synonym | triethyl trimesate,1,3,5-benzenetricarboxylic acid, triethyl ester,trimesic acid triethyl ester,triethyl 1,3,5-benzenetricarboxylate,ethyl 3,5-bis ethoxycarbonyl benzoate,1,3,5-triethyl benzene-1,3,5-tricarboxylate,acmc-20a6fr,bzta02,1,3,5-tri ethoxycarbonyl benzene,triethyl 1,5-benzenetricarboxylate |
| IUPAC Name | triethyl benzene-1,3,5-tricarboxylate |
| InChI Key | KXGOWZRHSOJOLF-UHFFFAOYSA-N |
| Molecular Formula | C15H18O6 |
Citric acid, trisodium salt dihydrate, 99%, for biochemistry
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
Tricarballylic acid, 98%
CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O
| PubChem CID | 14925 |
|---|---|
| CAS | 99-14-9 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:45969 |
| MDL Number | MFCD00002723 |
| SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
| Synonym | tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid |
| IUPAC Name | propane-1,2,3-tricarboxylic acid |
| InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Molecular Formula | C6H8O6 |
Citric acid, trisodium salt, 98%, pure, anhydrous
CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K Synonym: sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous PubChem CID: 6224 ChEBI: CHEBI:53258 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 6224 |
|---|---|
| CAS | 68-04-2 |
| Molecular Weight (g/mol) | 258.07 |
| ChEBI | CHEBI:53258 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | sodium citrate,trisodium citrate,citrosodine,sodium citrate anhydrous,citrosodina,natrocitral,citnatin,citreme,citrosodna,trisodium citrate, anhydrous |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
Benzanilide, 98%
CAS: 93-98-1 Molecular Formula: C13H11NO Molecular Weight (g/mol): 197.24 MDL Number: MFCD00003069 InChI Key: ZVSKZLHKADLHSD-UHFFFAOYSA-N Synonym: benzanilide,n-benzoylaniline,benzamide, n-phenyl,n-phenyl-benzamide,benzoic acid anilide,unii-ak1b12366o,phenyl-n-benzamide,benzanilid,benzoylanilide,n-benzoyl aniline PubChem CID: 7168 IUPAC Name: N-phenylbenzamide SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2
| PubChem CID | 7168 |
|---|---|
| CAS | 93-98-1 |
| Molecular Weight (g/mol) | 197.24 |
| MDL Number | MFCD00003069 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2 |
| Synonym | benzanilide,n-benzoylaniline,benzamide, n-phenyl,n-phenyl-benzamide,benzoic acid anilide,unii-ak1b12366o,phenyl-n-benzamide,benzanilid,benzoylanilide,n-benzoyl aniline |
| IUPAC Name | N-phenylbenzamide |
| InChI Key | ZVSKZLHKADLHSD-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO |
N,N-Diethylformamide, 99%
CAS: 617-84-5 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00003287 InChI Key: SUAKHGWARZSWIH-UHFFFAOYSA-N Synonym: diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl PubChem CID: 12051 IUPAC Name: N,N-diethylformamide SMILES: CCN(CC)C=O
| PubChem CID | 12051 |
|---|---|
| CAS | 617-84-5 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00003287 |
| SMILES | CCN(CC)C=O |
| Synonym | diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl |
| IUPAC Name | N,N-diethylformamide |
| InChI Key | SUAKHGWARZSWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Etidronic Acid, Approx. 60%, Spectrum™ Chemical
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CAS: 2809-21-4 Molecular Formula: C2H8O7P2 Molecular Weight (g/mol): 206.03 InChI Key: DBVJJBKOTRCVKF-UHFFFAOYSA-N IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O
| CAS | 2809-21-4 |
|---|---|
| Molecular Weight (g/mol) | 206.03 |
| SMILES | CC(O)(P(O)(O)=O)P(O)(O)=O |
| IUPAC Name | (1-hydroxy-1-phosphonoethyl)phosphonic acid |
| InChI Key | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
| Molecular Formula | C2H8O7P2 |
Diethylvinylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 682-30-4 Molecular Formula: C6H13O3P Molecular Weight (g/mol): 164.14 MDL Number: MFCD00009079 InChI Key: DREPONDJUKIQLX-UHFFFAOYSA-N Synonym: diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g PubChem CID: 69629 SMILES: CCOP(=O)(OCC)C=C
| PubChem CID | 69629 |
|---|---|
| CAS | 682-30-4 |
| Molecular Weight (g/mol) | 164.14 |
| MDL Number | MFCD00009079 |
| SMILES | CCOP(=O)(OCC)C=C |
| Synonym | diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g |
| InChI Key | DREPONDJUKIQLX-UHFFFAOYSA-N |
| Molecular Formula | C6H13O3P |
Diethyl phenylthiomethylphosphonate, 96%
CAS: 38066-16-9 Molecular Formula: C11H17O3PS Molecular Weight (g/mol): 260.288 MDL Number: MFCD00015130 InChI Key: FBUXEPJJFVDUFE-UHFFFAOYSA-N Synonym: diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # PubChem CID: 99227 IUPAC Name: diethoxyphosphorylmethylsulfanylbenzene SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC
| PubChem CID | 99227 |
|---|---|
| CAS | 38066-16-9 |
| Molecular Weight (g/mol) | 260.288 |
| MDL Number | MFCD00015130 |
| SMILES | CCOP(=O)(CSC1=CC=CC=C1)OCC |
| Synonym | diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # |
| IUPAC Name | diethoxyphosphorylmethylsulfanylbenzene |
| InChI Key | FBUXEPJJFVDUFE-UHFFFAOYSA-N |
| Molecular Formula | C11H17O3PS |
Trimethyl 4-phosphonocrotonate, (E)+(Z), 90+%
CAS: 86120-40-3 Molecular Formula: C7H13O5P Molecular Weight (g/mol): 208.15 MDL Number: MFCD00051564 InChI Key: PESRINKNQQZURC-SNAWJCMRSA-N Synonym: methyl 4-dimethoxyphosphoryl but-2-enoate,trimethyl 4-phosphonocrotonate,methyl 2e-4-dimethoxyphosphoryl but-2-enoate,methyl 4-dimethoxyphosphorylbut-2-enoate,trimethyl 4-phosphonocrotonate, e + z,methyl e-4-dimethoxyphosphorylbut-2-enoate,4-dimethoxyphosphinyl crotonic acid methyl ester,e-4-dimethoxy-phosphoryl-but-2-enoic acid methyl ester PubChem CID: 5702556 IUPAC Name: methyl (E)-4-dimethoxyphosphorylbut-2-enoate SMILES: COC(=O)\C=C\CP(=O)(OC)OC
| PubChem CID | 5702556 |
|---|---|
| CAS | 86120-40-3 |
| Molecular Weight (g/mol) | 208.15 |
| MDL Number | MFCD00051564 |
| SMILES | COC(=O)\C=C\CP(=O)(OC)OC |
| Synonym | methyl 4-dimethoxyphosphoryl but-2-enoate,trimethyl 4-phosphonocrotonate,methyl 2e-4-dimethoxyphosphoryl but-2-enoate,methyl 4-dimethoxyphosphorylbut-2-enoate,trimethyl 4-phosphonocrotonate, e + z,methyl e-4-dimethoxyphosphorylbut-2-enoate,4-dimethoxyphosphinyl crotonic acid methyl ester,e-4-dimethoxy-phosphoryl-but-2-enoic acid methyl ester |
| IUPAC Name | methyl (E)-4-dimethoxyphosphorylbut-2-enoate |
| InChI Key | PESRINKNQQZURC-SNAWJCMRSA-N |
| Molecular Formula | C7H13O5P |
1-Decylphosphonic acid, 98%
CAS: 6874-60-8 Molecular Formula: C10H23O3P Molecular Weight (g/mol): 222.265 MDL Number: MFCD00015830 InChI Key: DZQISOJKASMITI-UHFFFAOYSA-N Synonym: decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv PubChem CID: 81309 IUPAC Name: decylphosphonic acid SMILES: CCCCCCCCCCP(=O)(O)O
| PubChem CID | 81309 |
|---|---|
| CAS | 6874-60-8 |
| Molecular Weight (g/mol) | 222.265 |
| MDL Number | MFCD00015830 |
| SMILES | CCCCCCCCCCP(=O)(O)O |
| Synonym | decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv |
| IUPAC Name | decylphosphonic acid |
| InChI Key | DZQISOJKASMITI-UHFFFAOYSA-N |
| Molecular Formula | C10H23O3P |
Dimethyl Methylphosphonate, Spectrum™ Chemical
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