Organic compounds
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Dimethyl cis-4-Cyclohexene-1,2-dicarboxylate 97.0+%, TCI America™
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CAS: 4841-84-3 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00209581 InChI Key: DVVAGRMJGUQHLI-OCAPTIKFSA-N Synonym: dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel PubChem CID: 10867283 IUPAC Name: dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate SMILES: COC(=O)C1CC=CCC1C(=O)OC
| PubChem CID | 10867283 |
|---|---|
| CAS | 4841-84-3 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00209581 |
| SMILES | COC(=O)C1CC=CCC1C(=O)OC |
| Synonym | dimethyl cis-4-cyclohexene-1,2-dicarboxylate,dimethyl cis-1,2,3,6-tetrahydrophthalate,cis-dimethyl cyclohex-4-ene-1,2-dicarboxylate,dimethylcis-4-cyclohexene-1,2-dicarboxylate,1r, 6s-methyl 6-methoxycarbonyl-3-cyclohexenecarboxylate,4-cyclohexene-1alpha,2alpha-dicarboxylic acid dimethyl ester,1,2-dimethyl 1r,2s-cyclohex-4-ene-1,2-dicarboxylate,4-cyclohexene-1,2-dicarboxylicacid, dimethyl ester, 1r,2s-rel |
| IUPAC Name | dimethyl (1R,2S)-cyclohex-4-ene-1,2-dicarboxylate |
| InChI Key | DVVAGRMJGUQHLI-OCAPTIKFSA-N |
| Molecular Formula | C10H14O4 |
4-(Trifluoromethoxy)benzaldehyde 97.0+%, TCI America™
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CAS: 659-28-9 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.121 InChI Key: XQNVDQZWOBPLQZ-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx PubChem CID: 69573 IUPAC Name: 4-(trifluoromethoxy)benzaldehyde SMILES: C1=CC(=CC=C1C=O)OC(F)(F)F
| PubChem CID | 69573 |
|---|---|
| CAS | 659-28-9 |
| Molecular Weight (g/mol) | 190.121 |
| SMILES | C1=CC(=CC=C1C=O)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzaldehyde,p-trifluoromethoxybenzaldehyde,p-trifluoromethoxy benzaldehyde,benzaldehyde, 4-trifluoromethoxy,4-trifluoromethoxy-benzaldehyde,alpha,alpha,alpha-trifluoroanisaldehyde,pubchem1471,acmc-209nsx |
| IUPAC Name | 4-(trifluoromethoxy)benzaldehyde |
| InChI Key | XQNVDQZWOBPLQZ-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2 |
2-Hydroxy-N-methylbenzylamine Hydrochloride 98.0+%, TCI America™
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CAS: 60399-02-2 Molecular Formula: C8H12ClNO Molecular Weight (g/mol): 173.64 MDL Number: MFCD00142934 InChI Key: UDXXNWDSBJINMV-UHFFFAOYSA-N Synonym: alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride PubChem CID: 44630388 IUPAC Name: 2-(methylaminomethyl)phenol;hydrochloride SMILES: CNCC1=CC=CC=C1O.Cl
| PubChem CID | 44630388 |
|---|---|
| CAS | 60399-02-2 |
| Molecular Weight (g/mol) | 173.64 |
| MDL Number | MFCD00142934 |
| SMILES | CNCC1=CC=CC=C1O.Cl |
| Synonym | alpha-Methylamino-o-cresol Hydrochloride, 2-(Methylaminomethyl)phenol Hydrochloride, N-Methyl-2-hydroxybenzylamine Hydrochloride |
| IUPAC Name | 2-(methylaminomethyl)phenol;hydrochloride |
| InChI Key | UDXXNWDSBJINMV-UHFFFAOYSA-N |
| Molecular Formula | C8H12ClNO |
Quinaldine Ethiodide 99.0+%, TCI America™
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CAS: 606-55-3 Molecular Formula: C12H14IN Molecular Weight (g/mol): 299.155 MDL Number: MFCD00031829 InChI Key: OEVSHJVOKFWBJY-UHFFFAOYSA-M Synonym: 1-ethyl-2-methylquinolinium iodide,quinaldine ethiodide,1-ethylquinaldinium iodide,n-ethylquinaldinium iodide,2-methylquinoline ethiodide,quinaldinium, 1-ethyl-, iodide,quinolinium, 1-ethyl-2-methyl-, iodide,2-methyl-1-ethylquinolinium iodide,1-ethyl-2-methylquinolin-1-ium iodide,quinolinium, 1-ethyl-2-methyl-, iodide 1:1 PubChem CID: 69076 IUPAC Name: 1-ethyl-2-methylquinolin-1-ium;iodide SMILES: CC[N+]1=C(C=CC2=CC=CC=C21)C.[I-]
| PubChem CID | 69076 |
|---|---|
| CAS | 606-55-3 |
| Molecular Weight (g/mol) | 299.155 |
| MDL Number | MFCD00031829 |
| SMILES | CC[N+]1=C(C=CC2=CC=CC=C21)C.[I-] |
| Synonym | 1-ethyl-2-methylquinolinium iodide,quinaldine ethiodide,1-ethylquinaldinium iodide,n-ethylquinaldinium iodide,2-methylquinoline ethiodide,quinaldinium, 1-ethyl-, iodide,quinolinium, 1-ethyl-2-methyl-, iodide,2-methyl-1-ethylquinolinium iodide,1-ethyl-2-methylquinolin-1-ium iodide,quinolinium, 1-ethyl-2-methyl-, iodide 1:1 |
| IUPAC Name | 1-ethyl-2-methylquinolin-1-ium;iodide |
| InChI Key | OEVSHJVOKFWBJY-UHFFFAOYSA-M |
| Molecular Formula | C12H14IN |
1,1'-Ferrocenediboronic Acid (contains varying amounts of Anhydride) 95.0+%, TCI America™
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CAS: 32841-83-1 Molecular Formula: C10H12B2FeO4
| CAS | 32841-83-1 |
|---|---|
| Molecular Formula | C10H12B2FeO4 |
4-Amyloxybenzoic Acid 98.0+%, TCI America™
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CAS: 15872-41-0 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00013990 InChI Key: OZPPUPJQRJYTNY-UHFFFAOYSA-N Synonym: 4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid PubChem CID: 85153 IUPAC Name: 4-pentoxybenzoic acid SMILES: CCCCCOC1=CC=C(C=C1)C(=O)O
| PubChem CID | 85153 |
|---|---|
| CAS | 15872-41-0 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00013990 |
| SMILES | CCCCCOC1=CC=C(C=C1)C(=O)O |
| Synonym | 4-pentyloxybenzoic acid,4-pentyloxy benzoic acid,4-n-pentyloxybenzoic acid,benzoic acid, 4-pentyloxy,p-pentyloxybenzoic acid,4-n-amyloxybenzoic acid,p-pentoxybenzoic acid,p-n-pentyloxybenzoic acid,4-amyloxybenzoic acid,p-pentyloxy benzoic acid |
| IUPAC Name | 4-pentoxybenzoic acid |
| InChI Key | OZPPUPJQRJYTNY-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
2-Hydroxybenzotrifluoride 98.0+%, TCI America™
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CAS: 444-30-4 Molecular Formula: C7H5F3O Molecular Weight (g/mol): 162.111 MDL Number: MFCD00002222 InChI Key: ZOQOPXVJANRGJZ-UHFFFAOYSA-N Synonym: 2-trifluoromethyl phenol,2-hydroxybenzotrifluoride,o-trifluoromethylphenol,o-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-o-cresol,phenol, 2-trifluoromethyl,o-trifluoromethoxy phenol,a,a,a-trifluoro-o-cresol,2-hydroxy-alpha,alpha,alpha-trifluorotoluene PubChem CID: 67958 IUPAC Name: 2-(trifluoromethyl)phenol SMILES: C1=CC=C(C(=C1)C(F)(F)F)O
| PubChem CID | 67958 |
|---|---|
| CAS | 444-30-4 |
| Molecular Weight (g/mol) | 162.111 |
| MDL Number | MFCD00002222 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)O |
| Synonym | 2-trifluoromethyl phenol,2-hydroxybenzotrifluoride,o-trifluoromethylphenol,o-hydroxybenzotrifluoride,alpha,alpha,alpha-trifluoro-o-cresol,phenol, 2-trifluoromethyl,o-trifluoromethoxy phenol,a,a,a-trifluoro-o-cresol,2-hydroxy-alpha,alpha,alpha-trifluorotoluene |
| IUPAC Name | 2-(trifluoromethyl)phenol |
| InChI Key | ZOQOPXVJANRGJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O |
Acrolein Diethyl Acetal 97.0+%, TCI America™
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CAS: 3054-95-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009239 InChI Key: MCIPQLOKVXSHTD-UHFFFAOYSA-N Synonym: acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal PubChem CID: 62477 IUPAC Name: 3,3-diethoxyprop-1-ene SMILES: CCOC(C=C)OCC
| PubChem CID | 62477 |
|---|---|
| CAS | 3054-95-3 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009239 |
| SMILES | CCOC(C=C)OCC |
| Synonym | acrolein diethyl acetal,acrolein diethylacetal,acrolein acetal,3,3-diethoxy-1-propene,1-propene, 3,3-diethoxy,propenal diethyl acetal,3,3-diethoxypropene,1,1-diethoxy-2-propene,acrolein, diethyl acetal,acrylaldehyde diethyl acetal |
| IUPAC Name | 3,3-diethoxyprop-1-ene |
| InChI Key | MCIPQLOKVXSHTD-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
4-tert-Butylcalix[8]arene 98.0+%, TCI America™
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CAS: 68971-82-4 Molecular Formula: C88H112O8 Molecular Weight (g/mol): 1297.86 MDL Number: MFCD00075392 InChI Key: OLZFZIXORGGLLS-UHFFFAOYSA-N Synonym: 4-tert-butylcalix 8 arene,p-t-butylcalix 8 arene,p-tert-butylcalix 8 arene,ncistruc1_000782,ncistruc2_001502,3,3-dimethyl-2-epoxybutane,4-tert-butyl calix 8 arene,octa-tert-butyl octahydroxy calix 8 arene PubChem CID: 434172 IUPAC Name: 5,11,17,23,29,35,41,47-octa-tert-butylnonacyclo[43.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹.1³³,³⁷.1³⁹,⁴³]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaen-49,50,51,52,53,54,55,56-octol SMILES: CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(CC6=C(O)C(CC7=C(O)C(CC8=C(O)C(CC9=C(O)C(C2)=CC(=C9)C(C)(C)C)=CC(=C8)C(C)(C)C)=CC(=C7)C(C)(C)C)=CC(=C6)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1
| PubChem CID | 434172 |
|---|---|
| CAS | 68971-82-4 |
| Molecular Weight (g/mol) | 1297.86 |
| MDL Number | MFCD00075392 |
| SMILES | CC(C)(C)C1=CC2=C(O)C(CC3=C(O)C(CC4=C(O)C(CC5=C(O)C(CC6=C(O)C(CC7=C(O)C(CC8=C(O)C(CC9=C(O)C(C2)=CC(=C9)C(C)(C)C)=CC(=C8)C(C)(C)C)=CC(=C7)C(C)(C)C)=CC(=C6)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)=C1 |
| Synonym | 4-tert-butylcalix 8 arene,p-t-butylcalix 8 arene,p-tert-butylcalix 8 arene,ncistruc1_000782,ncistruc2_001502,3,3-dimethyl-2-epoxybutane,4-tert-butyl calix 8 arene,octa-tert-butyl octahydroxy calix 8 arene |
| IUPAC Name | 5,11,17,23,29,35,41,47-octa-tert-butylnonacyclo[43.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹.1²¹,²⁵.1²⁷,³¹.1³³,³⁷.1³⁹,⁴³]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaen-49,50,51,52,53,54,55,56-octol |
| InChI Key | OLZFZIXORGGLLS-UHFFFAOYSA-N |
| Molecular Formula | C88H112O8 |
1-Ethylpiperazine 98.0+%, TCI America™
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CAS: 5308-25-8 Molecular Formula: C6H14N2 Molecular Weight (g/mol): 114.192 MDL Number: MFCD00059912 InChI Key: WGCYRFWNGRMRJA-UHFFFAOYSA-N Synonym: n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine PubChem CID: 79196 IUPAC Name: 1-ethylpiperazine SMILES: CCN1CCNCC1
| PubChem CID | 79196 |
|---|---|
| CAS | 5308-25-8 |
| Molecular Weight (g/mol) | 114.192 |
| MDL Number | MFCD00059912 |
| SMILES | CCN1CCNCC1 |
| Synonym | n-ethylpiperazine,piperazine, 1-ethyl,1-ethylpiperazin,1-ethyl-piperazine,ethylpiperazine,n-ethyl piperazine,unii-6w2bw0v73g,1-ethyl-piperazin,ethypiperazine,ethyl piperazine |
| IUPAC Name | 1-ethylpiperazine |
| InChI Key | WGCYRFWNGRMRJA-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2 |
Acenaphthylene 94.0+%, TCI America™
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CAS: 208-96-8 Molecular Formula: C12H8 Molecular Weight (g/mol): 152.20 MDL Number: MFCD00003806 InChI Key: HXGDTGSAIMULJN-UHFFFAOYSA-N Synonym: acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene PubChem CID: 9161 ChEBI: CHEBI:33081 IUPAC Name: acenaphthylene SMILES: C1=CC2=C3C1=CC=CC3=CC=C2
| PubChem CID | 9161 |
|---|---|
| CAS | 208-96-8 |
| Molecular Weight (g/mol) | 152.20 |
| ChEBI | CHEBI:33081 |
| MDL Number | MFCD00003806 |
| SMILES | C1=CC2=C3C1=CC=CC3=CC=C2 |
| Synonym | acenaphthalene,cyclopenta de naphthalene,dsstox_cid_3845,dsstox_rid_77204,dsstox_gsid_23845,acenaphthylen,acenaphthylene, radical ion 1-,acenaphthylene |
| IUPAC Name | acenaphthylene |
| InChI Key | HXGDTGSAIMULJN-UHFFFAOYSA-N |
| Molecular Formula | C12H8 |
Nickel(II) Dibutyldithiocarbamate 97.0+%, TCI America™
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CAS: 13927-77-0 Molecular Formula: C18H36N2NiS4 Molecular Weight (g/mol): 467.433 MDL Number: MFCD00067273 InChI Key: HPOWMHUJHHIQGP-UHFFFAOYSA-L Synonym: Dibutyldithiocarbamic Acid Nickel(II) Salt, Nickel(II) Bis(dibutyldithiocarbamate) PubChem CID: 6101499 IUPAC Name: N,N-dibutylcarbamodithioate;nickel(2+) SMILES: CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
| PubChem CID | 6101499 |
|---|---|
| CAS | 13927-77-0 |
| Molecular Weight (g/mol) | 467.433 |
| MDL Number | MFCD00067273 |
| SMILES | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2] |
| Synonym | Dibutyldithiocarbamic Acid Nickel(II) Salt, Nickel(II) Bis(dibutyldithiocarbamate) |
| IUPAC Name | N,N-dibutylcarbamodithioate;nickel(2+) |
| InChI Key | HPOWMHUJHHIQGP-UHFFFAOYSA-L |
| Molecular Formula | C18H36N2NiS4 |
3-Pyridylacetic Acid Hydrochloride 99.0+%, TCI America™
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CAS: 6419-36-9 Molecular Formula: C7H8ClNO2 Molecular Weight (g/mol): 173.596 MDL Number: MFCD00012819 InChI Key: XVCCOEWNFXXUEV-UHFFFAOYSA-N Synonym: 3-pyridylacetic acid hydrochloride,2-pyridin-3-yl acetic acid hydrochloride,pyridine-3-acetic acid hydrochloride,3-pyridineacetic acid hydrochloride,3-pyridylacetic acid hcl,pyridin-3-ylacetic acid hydrochloride,3-pyridineacetic acid hcl,3-pyridinylacetic acid hcl,pyridine-3-acetic acid hcl,2-3-pyridinyl acetic acid hydrochloride PubChem CID: 2723724 IUPAC Name: 2-pyridin-3-ylacetic acid;hydrochloride SMILES: C1=CC(=CN=C1)CC(=O)O.Cl
| PubChem CID | 2723724 |
|---|---|
| CAS | 6419-36-9 |
| Molecular Weight (g/mol) | 173.596 |
| MDL Number | MFCD00012819 |
| SMILES | C1=CC(=CN=C1)CC(=O)O.Cl |
| Synonym | 3-pyridylacetic acid hydrochloride,2-pyridin-3-yl acetic acid hydrochloride,pyridine-3-acetic acid hydrochloride,3-pyridineacetic acid hydrochloride,3-pyridylacetic acid hcl,pyridin-3-ylacetic acid hydrochloride,3-pyridineacetic acid hcl,3-pyridinylacetic acid hcl,pyridine-3-acetic acid hcl,2-3-pyridinyl acetic acid hydrochloride |
| IUPAC Name | 2-pyridin-3-ylacetic acid;hydrochloride |
| InChI Key | XVCCOEWNFXXUEV-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO2 |
2,3,4,6-Tetra-O-benzoyl-D-mannopyranose 93.0+%, TCI America™
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CAS: 113544-59-5 Molecular Formula: C34H28O10 Molecular Weight (g/mol): 596.59 MDL Number: MFCD02683399 InChI Key: FCDYAJBVISGNLC-UHFFFAOYNA-N PubChem CID: 11146396 IUPAC Name: [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate SMILES: OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1
| PubChem CID | 11146396 |
|---|---|
| CAS | 113544-59-5 |
| Molecular Weight (g/mol) | 596.59 |
| MDL Number | MFCD02683399 |
| SMILES | OC1OC(COC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C(OC(=O)C2=CC=CC=C2)C1OC(=O)C1=CC=CC=C1 |
| IUPAC Name | [3,4,5-tris(benzoyloxy)-6-hydroxyoxan-2-yl]methyl benzoate |
| InChI Key | FCDYAJBVISGNLC-UHFFFAOYNA-N |
| Molecular Formula | C34H28O10 |
Diphenyl Phenylphosphonate 98.0+%, TCI America™
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CAS: 3049-24-9 Molecular Formula: C18H15O3P Molecular Weight (g/mol): 310.29 MDL Number: MFCD00216888 InChI Key: CDOMXXVCZQOOMT-UHFFFAOYSA-N Synonym: Phenylphosphonic Acid Diphenyl Ester PubChem CID: 76448 IUPAC Name: diphenyl phenylphosphonate SMILES: O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 76448 |
|---|---|
| CAS | 3049-24-9 |
| Molecular Weight (g/mol) | 310.29 |
| MDL Number | MFCD00216888 |
| SMILES | O=P(OC1=CC=CC=C1)(OC1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | Phenylphosphonic Acid Diphenyl Ester |
| IUPAC Name | diphenyl phenylphosphonate |
| InChI Key | CDOMXXVCZQOOMT-UHFFFAOYSA-N |
| Molecular Formula | C18H15O3P |