Organic acids and derivatives
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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 |
Clomiphene citrate salt, MP Biomedicals™
CAS: 50-41-9 Molecular Formula: C32H36ClNO8 Molecular Weight (g/mol): 598.089 InChI Key: PYTMYKVIJXPNBD-BTKVJIOYSA-N Synonym: clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate PubChem CID: 6420009 IUPAC Name: 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 6420009 |
|---|---|
| CAS | 50-41-9 |
| Molecular Weight (g/mol) | 598.089 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate |
| IUPAC Name | 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | PYTMYKVIJXPNBD-BTKVJIOYSA-N |
| Molecular Formula | C32H36ClNO8 |
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 |
1,3,5-Tris(4-carboxyphenyl)benzene, Spectrum™ Chemical
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CAS: 50446-44-1
| CAS | 50446-44-1 |
|---|
Triethyl Citrate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N IUPAC Name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
| CAS | 77-93-0 |
|---|---|
| Molecular Weight (g/mol) | 276.29 |
| SMILES | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC |
| IUPAC Name | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
Citric acid, monosodium salt, 99%, for analysis, anhydrous
CAS: 18996-35-5 Molecular Formula: C6H7NaO7 Molecular Weight (g/mol): 214.11 InChI Key: SLWOXBQHKZPUNY-UHFFFAOYSA-N Synonym: bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? PubChem CID: 131675399 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium SMILES: [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na]
| PubChem CID | 131675399 |
|---|---|
| CAS | 18996-35-5 |
| Molecular Weight (g/mol) | 214.11 |
| SMILES | [HH].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na] |
| Synonym | bicitra,pneucid,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt,sodium dihydrogen citrate anhydrous,citric acid, sodium salt,citric acid sodium,sodium 2-hydroxy-1,2,3-propanetricarboxylate,2-hydroxypropane-1,2,3-tricarboxylic acid; sodium,1,2,3-propanetricarboxylic acid, 2-hydroxy-, sodium salt 1:? |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;molecular hydrogen;sodium |
| InChI Key | SLWOXBQHKZPUNY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NaO7 |
Triethyl Citrate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 77-93-0 Molecular Formula: C12H20O7 Molecular Weight (g/mol): 276.29 InChI Key: DOOTYTYQINUNNV-UHFFFAOYSA-N IUPAC Name: 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC
| CAS | 77-93-0 |
|---|---|
| Molecular Weight (g/mol) | 276.29 |
| SMILES | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC |
| IUPAC Name | 1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | DOOTYTYQINUNNV-UHFFFAOYSA-N |
| Molecular Formula | C12H20O7 |
cis-Aconitic anhydride, 98%
CAS: 6318-55-4 Molecular Formula: C6H4O5 Molecular Weight (g/mol): 156.093 MDL Number: MFCD00005524 InChI Key: GVJRTUUUJYMTNQ-UHFFFAOYSA-N Synonym: cis-aconitic anhydride,aconitic anhydride,cis-aconitic acid anhydride,3-furanacetic acid, 2,5-dihydro-2,5-dioxo,2-2,5-dioxo-2,5-dihydrofuran-3-yl acetic acid,2,5-dioxofuran-3-yl acetic acid,2-2,5-dioxo-3-furyl acetic acid,1-propene-1,2,3-tricarboxylic acid, cyclic 1,2-anhydride,2,5-dioxo-2,5-dihydro-furan-3-yl-acetic acid,z-aconitic anhydride PubChem CID: 65163 IUPAC Name: 2-(2,5-dioxofuran-3-yl)acetic acid SMILES: C1=C(C(=O)OC1=O)CC(=O)O
| PubChem CID | 65163 |
|---|---|
| CAS | 6318-55-4 |
| Molecular Weight (g/mol) | 156.093 |
| MDL Number | MFCD00005524 |
| SMILES | C1=C(C(=O)OC1=O)CC(=O)O |
| Synonym | cis-aconitic anhydride,aconitic anhydride,cis-aconitic acid anhydride,3-furanacetic acid, 2,5-dihydro-2,5-dioxo,2-2,5-dioxo-2,5-dihydrofuran-3-yl acetic acid,2,5-dioxofuran-3-yl acetic acid,2-2,5-dioxo-3-furyl acetic acid,1-propene-1,2,3-tricarboxylic acid, cyclic 1,2-anhydride,2,5-dioxo-2,5-dihydro-furan-3-yl-acetic acid,z-aconitic anhydride |
| IUPAC Name | 2-(2,5-dioxofuran-3-yl)acetic acid |
| InChI Key | GVJRTUUUJYMTNQ-UHFFFAOYSA-N |
| Molecular Formula | C6H4O5 |
Sodium citrate, 99.8%, For ACS analysis, MP Biomedicals™
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 |
Tamoxifen Citrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| CAS | 54965-24-1 |
|---|---|
| Molecular Weight (g/mol) | 563.65 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
Sodium Citrate USP/FCC Crystal, Macron Fine Chemicals™
CAS: 4-3-6132 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 | 4-3-6132 |
| 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 |
Sodium Citrate ACS AR Crystal, Macron Fine Chemicals™
CAS: 4-3-6132 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 | 4-3-6132 |
| 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 |
Sodium Citrate, Anhydrous, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
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 |
O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate, 98%
CAS: 330645-87-9 Molecular Formula: C11H15ClN5O·F6P Molecular Weight (g/mol): 413.69 InChI Key: ZHHGTMQHUWDEJF-UHFFFAOYSA-N Synonym: hctu,o-6-chlorobenzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-6-chloro-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate v,1-bis-dimethylamino-methylene-5-chloro-3-oxy-1h-benzotriazol-1-ium hexafluorophosphate,2-6-chloro-1h-benzotriazole-1-yl-1,1,3,3-tetramethylaminium hexafluorophosphate,o-1h-6-chlorobenzotriazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,o-6-chloro-1-hydrocibenzotriazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,2-6-chloro-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethylisouronium hexafluorophosphate v,pubchem12740,acmc-20aj2u PubChem CID: 42624899 IUPAC Name: [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate SMILES: CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1.F[P-](F)(F)(F)(F)F
| PubChem CID | 42624899 |
|---|---|
| CAS | 330645-87-9 |
| Molecular Weight (g/mol) | 413.69 |
| SMILES | CN(C)C(=[N+](C)C)ON1C2=C(C=CC(=C2)Cl)N=N1.F[P-](F)(F)(F)(F)F |
| Synonym | hctu,o-6-chlorobenzotriazol-1-yl-n,n,n',n'-tetramethyluronium hexafluorophosphate,2-6-chloro-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate v,1-bis-dimethylamino-methylene-5-chloro-3-oxy-1h-benzotriazol-1-ium hexafluorophosphate,2-6-chloro-1h-benzotriazole-1-yl-1,1,3,3-tetramethylaminium hexafluorophosphate,o-1h-6-chlorobenzotriazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,o-6-chloro-1-hydrocibenzotriazol-1-yl-1,1,3,3-tetramethyluronium hexafluorophosphate,2-6-chloro-1h-benzo d 1,2,3 triazol-1-yl-1,1,3,3-tetramethylisouronium hexafluorophosphate v,pubchem12740,acmc-20aj2u |
| IUPAC Name | [(6-chlorobenzotriazol-1-yl)oxy-(dimethylamino)methylidene]-dimethylazanium;hexafluorophosphate |
| InChI Key | ZHHGTMQHUWDEJF-UHFFFAOYSA-N |
| Molecular Formula | C11H15ClN5O·F6P |