Tricarboxylic acids and derivatives
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Sodium Citrate Dihydrate (Small, Colorless Granules), Fisher BioReagents™
CAS: 6132-04-3 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.10 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 | 6132-04-3 |
| Molecular Weight (g/mol) | 294.10 |
| 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 |
1,2,4-Benzenetricarboxylic anhydride, 97%
CAS: 552-30-7 MDL Number: MFCD00005925 InChI Key: SRPWOOOHEPICQU-UHFFFAOYSA-N Synonym: trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride PubChem CID: 11089 ChEBI: CHEBI:53050 IUPAC Name: 1,3-dioxo-2-benzofuran-5-carboxylic acid SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
| PubChem CID | 11089 |
|---|---|
| CAS | 552-30-7 |
| ChEBI | CHEBI:53050 |
| MDL Number | MFCD00005925 |
| SMILES | C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O |
| Synonym | trimellitic anhydride,1,2,4-benzenetricarboxylic anhydride,anhydrotrimellic acid,trimellitic acid anhydride,4-carboxyphthalic anhydride,tman,anhydrotrimellitic acid,trimellic acid anhydride,1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid,trimellitic acid 1,2-anhydride |
| IUPAC Name | 1,3-dioxo-2-benzofuran-5-carboxylic acid |
| InChI Key | SRPWOOOHEPICQU-UHFFFAOYSA-N |
1,3,5-Benzenetricarboxylic acid, 98%
CAS: 554-95-0 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002517 InChI Key: QMKYBPDZANOJGF-UHFFFAOYSA-N Synonym: trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 PubChem CID: 11138 ChEBI: CHEBI:46032 IUPAC Name: benzene-1,3,5-tricarboxylic acid SMILES: OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O
| PubChem CID | 11138 |
|---|---|
| CAS | 554-95-0 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:46032 |
| MDL Number | MFCD00002517 |
| SMILES | OC(=O)C1=CC(=CC(=C1)C(O)=O)C(O)=O |
| Synonym | trimesic acid,1,3,5-benzenetricarboxylic acid,trimesinic acid,trimesitinic acid,5-carboxyisophthalic acid,1,3,5-benzene tricarboxylic acid,1,3,5-tricarboxybenzene,unii-ou36oo5mtn,ou36oo5mtn,chembl77562 |
| IUPAC Name | benzene-1,3,5-tricarboxylic acid |
| InChI Key | QMKYBPDZANOJGF-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
Citric acid, diammonium salt, 98%, pure
CAS: 3012-65-5 Molecular Formula: C6H14N2O7 Molecular Weight (g/mol): 226.19 MDL Number: MFCD00013068 InChI Key: YXVFQADLFFNVDS-UHFFFAOYSA-N Synonym: ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss PubChem CID: 13710713 ChEBI: CHEBI:63076 IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O
| PubChem CID | 13710713 |
|---|---|
| CAS | 3012-65-5 |
| Molecular Weight (g/mol) | 226.19 |
| ChEBI | CHEBI:63076 |
| MDL Number | MFCD00013068 |
| SMILES | [NH4+].[NH4+].OC(=O)C(O)(CC([O-])=O)CC([O-])=O |
| Synonym | ammonium citrate dibasic,ammonium hydrogencitrate,diammonium hydrogen citrate,citric acid diammonium salt,citric acid ammonium salt,di-ammonium hydrogen citrate,citro diamine,citric acid diamine,ammonium citrate, dibasic, acs,ammonium citrate dibasic, puriss |
| IUPAC Name | azane;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | YXVFQADLFFNVDS-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O7 |
Citric acid, triammonium salt, 97+%, pure
CAS: 3458-72-8 Molecular Formula: C6H20N3O7+3 Molecular Weight (g/mol): 246.24 MDL Number: MFCD00036406 InChI Key: YWYZEGXAUVWDED-UHFFFAOYSA-Q Synonym: ammonium citrate PubChem CID: 131675891 IUPAC Name: azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium SMILES: C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N
| PubChem CID | 131675891 |
|---|---|
| CAS | 3458-72-8 |
| Molecular Weight (g/mol) | 246.24 |
| MDL Number | MFCD00036406 |
| SMILES | C(C(=[OH+])[OH2+])C(CC(=[OH+])O)(C(=O)O)O.N.N.N |
| Synonym | ammonium citrate |
| IUPAC Name | azane;[3-carboxy-1,3-dihydroxy-4-[oxonio(oxoniumylidene)methyl]butylidene]oxidanium |
| InChI Key | YWYZEGXAUVWDED-UHFFFAOYSA-Q |
| Molecular Formula | C6H20N3O7+3 |
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 |
Tricarballylic acid, 99%
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 |
1,2,4-Benzenetricarboxylic acid, 98%
CAS: 528-44-9 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002470 InChI Key: ARCGXLSVLAOJQL-UHFFFAOYSA-N Synonym: 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 PubChem CID: 10708 ChEBI: CHEBI:166055 IUPAC Name: benzene-1,2,4-tricarboxylic acid SMILES: OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
| PubChem CID | 10708 |
|---|---|
| CAS | 528-44-9 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:166055 |
| MDL Number | MFCD00002470 |
| SMILES | OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O |
| Synonym | 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 |
| IUPAC Name | benzene-1,2,4-tricarboxylic acid |
| InChI Key | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |
cis-Aconitic acid, tech. 85%
CAS: 585-84-2 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00063184 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid PubChem CID: 643757 ChEBI: CHEBI:32805 SMILES: OC(=O)C\C(=C/C(O)=O)C(O)=O
| PubChem CID | 643757 |
|---|---|
| CAS | 585-84-2 |
| Molecular Weight (g/mol) | 174.11 |
| ChEBI | CHEBI:32805 |
| MDL Number | MFCD00063184 |
| SMILES | OC(=O)C\C(=C/C(O)=O)C(O)=O |
| Synonym | cis-aconitic acid,cis-aconitate,achilleic acid,citridinic acid,equisetic acid,pyrocitric acid,achilleaic acid,citridic acid,cis-aconic acid,aconitic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
Alfa Aesar™ (R)-(+)-2-Acetoxysuccinic anhydride, 98%, Thermo Scientific™
CAS: 79814-40-7 Molecular Formula: C6H6O5 Molecular Weight (g/mol): 158.109 MDL Number: MFCD00145214 InChI Key: SSWJHSASZZAIAU-SCSAIBSYSA-N Synonym: r-+-2-acetoxysuccinic anhydride,r-2-o-acetylmalic anhydride,r-2,5-dioxotetrahydrofuran-3-yl acetate,+-o-acetyl-d-malic anhydride,2,5-furandione, 3-acetyloxy dihydro-, r,o-acetyl d-malic anhydride,s-acetoxysuccinic anhydride,o-acetyl-d-malic anhydride,ksc496o4p,r-acetoxysuccinic anhydride PubChem CID: 9815264 IUPAC Name: [(3R)-2,5-dioxooxolan-3-yl] acetate SMILES: CC(=O)OC1CC(=O)OC1=O
| PubChem CID | 9815264 |
|---|---|
| CAS | 79814-40-7 |
| Molecular Weight (g/mol) | 158.109 |
| MDL Number | MFCD00145214 |
| SMILES | CC(=O)OC1CC(=O)OC1=O |
| Synonym | r-+-2-acetoxysuccinic anhydride,r-2-o-acetylmalic anhydride,r-2,5-dioxotetrahydrofuran-3-yl acetate,+-o-acetyl-d-malic anhydride,2,5-furandione, 3-acetyloxy dihydro-, r,o-acetyl d-malic anhydride,s-acetoxysuccinic anhydride,o-acetyl-d-malic anhydride,ksc496o4p,r-acetoxysuccinic anhydride |
| IUPAC Name | [(3R)-2,5-dioxooxolan-3-yl] acetate |
| InChI Key | SSWJHSASZZAIAU-SCSAIBSYSA-N |
| Molecular Formula | C6H6O5 |
trans-Aconitic acid, 98%
CAS: 4023-65-8 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.108 MDL Number: MFCD00002721 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid PubChem CID: 444212 ChEBI: CHEBI:32806 IUPAC Name: (E)-prop-1-ene-1,2,3-tricarboxylic acid SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
| PubChem CID | 444212 |
|---|---|
| CAS | 4023-65-8 |
| Molecular Weight (g/mol) | 174.108 |
| ChEBI | CHEBI:32806 |
| MDL Number | MFCD00002721 |
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| Synonym | trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |