Benzenoids
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3,5-Dibromo-1-trimethylsilylbenzene 97.0+%, TCI America™
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CAS: 17878-23-8 Molecular Formula: C9H12Br2Si Molecular Weight (g/mol): 308.09 MDL Number: MFCD03844787 InChI Key: SZQQTWLBYAKIOT-UHFFFAOYSA-N Synonym: (3,5-Dibromophenyl)trimethylsilane PubChem CID: 626244 IUPAC Name: (3,5-dibromophenyl)trimethylsilane SMILES: C[Si](C)(C)C1=CC(Br)=CC(Br)=C1
| PubChem CID | 626244 |
|---|---|
| CAS | 17878-23-8 |
| Molecular Weight (g/mol) | 308.09 |
| MDL Number | MFCD03844787 |
| SMILES | C[Si](C)(C)C1=CC(Br)=CC(Br)=C1 |
| Synonym | (3,5-Dibromophenyl)trimethylsilane |
| IUPAC Name | (3,5-dibromophenyl)trimethylsilane |
| InChI Key | SZQQTWLBYAKIOT-UHFFFAOYSA-N |
| Molecular Formula | C9H12Br2Si |
N-Methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]phenylethylamine 97.0+%, TCI America™
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CAS: 115287-37-1 Molecular Formula: C17H19N3O5 Molecular Weight (g/mol): 345.36 MDL Number: MFCD08236712 InChI Key: BDCVRCLAXLOSLH-UHFFFAOYSA-N PubChem CID: 14645090 IUPAC Name: methyl[2-(4-nitrophenoxy)ethyl][2-(4-nitrophenyl)ethyl]amine SMILES: CN(CCOC1=CC=C(C=C1)[N+]([O-])=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 14645090 |
|---|---|
| CAS | 115287-37-1 |
| Molecular Weight (g/mol) | 345.36 |
| MDL Number | MFCD08236712 |
| SMILES | CN(CCOC1=CC=C(C=C1)[N+]([O-])=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| IUPAC Name | methyl[2-(4-nitrophenoxy)ethyl][2-(4-nitrophenyl)ethyl]amine |
| InChI Key | BDCVRCLAXLOSLH-UHFFFAOYSA-N |
| Molecular Formula | C17H19N3O5 |
Diphenyliodonium Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 66003-76-7 Molecular Formula: C13H10F3IO3S Molecular Weight (g/mol): 430.18 MDL Number: MFCD00191356 InChI Key: SBQIJPBUMNWUKN-UHFFFAOYSA-M Synonym: diphenyliodonium trifluoromethanesulfonate,diphenyliodanium triflate,diphenyliodonium triflate,acmc-209nt6,diphenyliodonium trifluoromethansulfonat,diphenyliodanium; trifluoromethanesulfonate,diphenyliodonium trifluoromethane sulfonate,diphenyliodonium; trifluoromethanesulfonate,diphenyliodanium; tris fluoranyl methanesulfonate PubChem CID: 2737137 IUPAC Name: diphenyliodanium;trifluoromethanesulfonate SMILES: C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]
| PubChem CID | 2737137 |
|---|---|
| CAS | 66003-76-7 |
| Molecular Weight (g/mol) | 430.18 |
| MDL Number | MFCD00191356 |
| SMILES | C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-] |
| Synonym | diphenyliodonium trifluoromethanesulfonate,diphenyliodanium triflate,diphenyliodonium triflate,acmc-209nt6,diphenyliodonium trifluoromethansulfonat,diphenyliodanium; trifluoromethanesulfonate,diphenyliodonium trifluoromethane sulfonate,diphenyliodonium; trifluoromethanesulfonate,diphenyliodanium; tris fluoranyl methanesulfonate |
| IUPAC Name | diphenyliodanium;trifluoromethanesulfonate |
| InChI Key | SBQIJPBUMNWUKN-UHFFFAOYSA-M |
| Molecular Formula | C13H10F3IO3S |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl Alcohol 98.0+%, TCI America™
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CAS: 302348-51-2 Molecular Formula: C13H19BO3 Molecular Weight (g/mol): 234.102 MDL Number: MFCD09837617 InChI Key: GZZBZWITJNATOD-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 PubChem CID: 11402050 IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO
| PubChem CID | 11402050 |
|---|---|
| CAS | 302348-51-2 |
| Molecular Weight (g/mol) | 234.102 |
| MDL Number | MFCD09837617 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CO |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethyl phenylboronic acid pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanol,4-hydroxymethylphenylboronic acid pinacol ester,4-hydroxymethyl benzeneboronic acid pinacol ester,2-4-hydroxymethyl phenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,benzenemethanol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl alcohol,amtb135 |
| IUPAC Name | [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
| InChI Key | GZZBZWITJNATOD-UHFFFAOYSA-N |
| Molecular Formula | C13H19BO3 |
5-Fluoro-2-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 33184-16-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00042294 InChI Key: JVBLXLBINTYFPR-UHFFFAOYSA-N Synonym: 2-methyl-5-fluorobenzoic acid,5-fluoro-o-toluic acid,3-fluoro-6-methylbenzoic acid,5-fluoro-2-methylbenzoicacid,benzoic acid, 5-fluoro-2-methyl,5-fluoro-2-methyl-benzoic acid,5-fluoro-2-methyl benzoic acid,benzoicacid, 5-fluoro-2-methyl,pubchem1326 PubChem CID: 182114 IUPAC Name: 5-fluoro-2-methylbenzoic acid SMILES: CC1=C(C=C(C=C1)F)C(=O)O
| PubChem CID | 182114 |
|---|---|
| CAS | 33184-16-6 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00042294 |
| SMILES | CC1=C(C=C(C=C1)F)C(=O)O |
| Synonym | 2-methyl-5-fluorobenzoic acid,5-fluoro-o-toluic acid,3-fluoro-6-methylbenzoic acid,5-fluoro-2-methylbenzoicacid,benzoic acid, 5-fluoro-2-methyl,5-fluoro-2-methyl-benzoic acid,5-fluoro-2-methyl benzoic acid,benzoicacid, 5-fluoro-2-methyl,pubchem1326 |
| IUPAC Name | 5-fluoro-2-methylbenzoic acid |
| InChI Key | JVBLXLBINTYFPR-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
4-(Trifluoromethyl)benzylamine 98.0+%, TCI America™
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CAS: 3300-51-4 Molecular Formula: C8H8F3N Molecular Weight (g/mol): 175.15 MDL Number: MFCD00010220 InChI Key: PRDBLLIPPDOICK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl PubChem CID: 76804 IUPAC Name: 1-[4-(trifluoromethyl)phenyl]methanamine SMILES: NCC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 76804 |
|---|---|
| CAS | 3300-51-4 |
| Molecular Weight (g/mol) | 175.15 |
| MDL Number | MFCD00010220 |
| SMILES | NCC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzylamine,4-trifluoromethylbenzylamine,4-trifluoromethyl phenyl methanamine,1-4-trifluoromethyl phenyl methanamine,4-trifluoromethyl benzyl amine,p-trifluoromethylbenzyl amine,4-trifluoromethyl-benzylamine,p-trifluoromethyl benzylamine,benzenemethanamine, 4-trifluoromethyl |
| IUPAC Name | 1-[4-(trifluoromethyl)phenyl]methanamine |
| InChI Key | PRDBLLIPPDOICK-UHFFFAOYSA-N |
| Molecular Formula | C8H8F3N |
3-Methoxy-2-nitrotoluene 98.0+%, TCI America™
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CAS: 5345-42-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 MDL Number: MFCD00007179 InChI Key: MGBRGNWARSQECY-UHFFFAOYSA-N Synonym: 3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,# PubChem CID: 79291 IUPAC Name: 1-methoxy-3-methyl-2-nitrobenzene SMILES: COC1=CC=CC(C)=C1[N+]([O-])=O
| PubChem CID | 79291 |
|---|---|
| CAS | 5345-42-6 |
| Molecular Weight (g/mol) | 167.16 |
| MDL Number | MFCD00007179 |
| SMILES | COC1=CC=CC(C)=C1[N+]([O-])=O |
| Synonym | 3-methyl-2-nitroanisole,3-methoxy-2-nitrotoluene,2-nitro-3-methylanisole,benzene, 1-methoxy-3-methyl-2-nitro,pubchem12903,acmc-209l7h,anisole, 3-methyl-2-nitro,3-methoxy-1-methyl-2-nitrobenzene,# |
| IUPAC Name | 1-methoxy-3-methyl-2-nitrobenzene |
| InChI Key | MGBRGNWARSQECY-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Ethyl 4-Ethoxybenzoate 97.0+%, TCI America™
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CAS: 23676-09-7 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00009116 InChI Key: HRAQMGWTPNOILP-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate PubChem CID: 90232 IUPAC Name: ethyl 4-ethoxybenzoate SMILES: CCOC1=CC=C(C=C1)C(=O)OCC
| PubChem CID | 90232 |
|---|---|
| CAS | 23676-09-7 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00009116 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC |
| Synonym | benzoic acid, 4-ethoxy-, ethyl ester,4-ethoxybenzoic acid ethyl ester,4-ethoxy ethylbenzoate,benzoic acid, p-ethoxy-, ethyl ester,4-ethoxyethylbenzoate,peeb,ethyl p-ethoxybenzoate,ethyl-4-ethoxybenzoate,p-ethoxy ethyl benzoate,ethyl-p-ethoxy benzoate |
| IUPAC Name | ethyl 4-ethoxybenzoate |
| InChI Key | HRAQMGWTPNOILP-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |
Sodium 4-Amino-5-hydroxy-2,7-naphthalenedisulfonate Hydrate 80.0+%, TCI America™
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CAS: 5460-09-3 Molecular Formula: C10H8NNaO7S2 Molecular Weight (g/mol): 341.28 MDL Number: MFCD00036444 InChI Key: QPILZZVXGUNELN-UHFFFAOYSA-M
| CAS | 5460-09-3 |
|---|---|
| Molecular Weight (g/mol) | 341.28 |
| MDL Number | MFCD00036444 |
| InChI Key | QPILZZVXGUNELN-UHFFFAOYSA-M |
| Molecular Formula | C10H8NNaO7S2 |
2,2,2-Triphenylacetophenone 99.0+%, TCI America™
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CAS: 466-37-5 Molecular Formula: C26H20O Molecular Weight (g/mol): 348.445 MDL Number: MFCD00004762 InChI Key: CFBBKHROQRFCNZ-UHFFFAOYSA-N Synonym: 2,2,2-triphenylacetophenone,tetraphenylethanone,benzopinacolone,ethanone, tetraphenyl,phenyl trityl ketone,acetophenone, 2,2,2-triphenyl,1,2,2,2-tetraphenylethan-1-one,ss-benzpinakolin,beta-benzopinacolone,.beta.-benzopinacolone PubChem CID: 68049 IUPAC Name: 1,2,2,2-tetraphenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
| PubChem CID | 68049 |
|---|---|
| CAS | 466-37-5 |
| Molecular Weight (g/mol) | 348.445 |
| MDL Number | MFCD00004762 |
| SMILES | C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4 |
| Synonym | 2,2,2-triphenylacetophenone,tetraphenylethanone,benzopinacolone,ethanone, tetraphenyl,phenyl trityl ketone,acetophenone, 2,2,2-triphenyl,1,2,2,2-tetraphenylethan-1-one,ss-benzpinakolin,beta-benzopinacolone,.beta.-benzopinacolone |
| IUPAC Name | 1,2,2,2-tetraphenylethanone |
| InChI Key | CFBBKHROQRFCNZ-UHFFFAOYSA-N |
| Molecular Formula | C26H20O |
2-(2-Chlorophenoxy)propionic Acid 99.0+%, TCI America™
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CAS: 25140-86-7 Molecular Formula: C9H9ClO3 Molecular Weight (g/mol): 200.618 MDL Number: MFCD00002644 InChI Key: ZGWNXHRVUJVMCP-UHFFFAOYSA-N Synonym: 2-2-chlorophenoxy propanoic acid,2-2-chlorophenoxy propionic acid,propanoic acid, 2-2-chlorophenoxy,2-o-chlorophenoxy propionic acid,propionic acid, 2-o-chlorophenoxy,acide o-chlorophenoxy-2 propionique,acide o-chlorophenoxy-2 propionique french,2-2-chlorophenoxy propionicacid,+/--2-2-chlorophenoxy propionic acid,acmc-1ch4k PubChem CID: 72862 IUPAC Name: 2-(2-chlorophenoxy)propanoic acid SMILES: CC(C(=O)O)OC1=CC=CC=C1Cl
| PubChem CID | 72862 |
|---|---|
| CAS | 25140-86-7 |
| Molecular Weight (g/mol) | 200.618 |
| MDL Number | MFCD00002644 |
| SMILES | CC(C(=O)O)OC1=CC=CC=C1Cl |
| Synonym | 2-2-chlorophenoxy propanoic acid,2-2-chlorophenoxy propionic acid,propanoic acid, 2-2-chlorophenoxy,2-o-chlorophenoxy propionic acid,propionic acid, 2-o-chlorophenoxy,acide o-chlorophenoxy-2 propionique,acide o-chlorophenoxy-2 propionique french,2-2-chlorophenoxy propionicacid,+/--2-2-chlorophenoxy propionic acid,acmc-1ch4k |
| IUPAC Name | 2-(2-chlorophenoxy)propanoic acid |
| InChI Key | ZGWNXHRVUJVMCP-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO3 |
S-Phenyl Thioacetate 98.0+%, TCI America™
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CAS: 934-87-2 Molecular Formula: C8H8OS Molecular Weight (g/mol): 152.211 MDL Number: MFCD00008752 InChI Key: WBISVCLTLBMTDS-UHFFFAOYSA-N Synonym: s-phenyl thioacetate,thiophenyl acetate,ethanethioic acid, s-phenyl ester,acetic acid, thio-, s-phenyl ester,phenyl thioacetate,thioacetic acid s-phenyl ester,thiacetic acid, s-phenyl ester,pubchem15324,1-phenylsulfanylethanone,thioacetic acid s-phenyl PubChem CID: 13630 IUPAC Name: S-phenyl ethanethioate SMILES: CC(=O)SC1=CC=CC=C1
| PubChem CID | 13630 |
|---|---|
| CAS | 934-87-2 |
| Molecular Weight (g/mol) | 152.211 |
| MDL Number | MFCD00008752 |
| SMILES | CC(=O)SC1=CC=CC=C1 |
| Synonym | s-phenyl thioacetate,thiophenyl acetate,ethanethioic acid, s-phenyl ester,acetic acid, thio-, s-phenyl ester,phenyl thioacetate,thioacetic acid s-phenyl ester,thiacetic acid, s-phenyl ester,pubchem15324,1-phenylsulfanylethanone,thioacetic acid s-phenyl |
| IUPAC Name | S-phenyl ethanethioate |
| InChI Key | WBISVCLTLBMTDS-UHFFFAOYSA-N |
| Molecular Formula | C8H8OS |
1-(2-Methoxyphenoxy)-2-propanol 90.0+%, TCI America™
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CAS: 64120-49-6 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00191539 InChI Key: CUJJTCXPBXHBTJ-UHFFFAOYSA-N Synonym: 2-(2-Hydroxypropoxy)anisole PubChem CID: 22036327 IUPAC Name: 1-(2-methoxyphenoxy)propan-2-ol SMILES: CC(COC1=CC=CC=C1OC)O
| PubChem CID | 22036327 |
|---|---|
| CAS | 64120-49-6 |
| Molecular Weight (g/mol) | 182.219 |
| MDL Number | MFCD00191539 |
| SMILES | CC(COC1=CC=CC=C1OC)O |
| Synonym | 2-(2-Hydroxypropoxy)anisole |
| IUPAC Name | 1-(2-methoxyphenoxy)propan-2-ol |
| InChI Key | CUJJTCXPBXHBTJ-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
3-(Trifluoromethyl)benzonitrile 98.0+%, TCI America™
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CAS: 368-77-4 Molecular Formula: C8H4F3N Molecular Weight (g/mol): 171.122 MDL Number: MFCD00001807 InChI Key: OGOBINRVCUWLGN-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzonitrile,3-cyanobenzotrifluoride,m-trifluoromethylbenzonitrile,alpha,alpha,alpha-trifluoro-m-tolunitrile,benzonitrile, 3-trifluoromethyl,a,a,a-trifluoro-m-tolunitrile,unii-y7zd7dk3ay,alpha,alpha,alpha-trifluoro-m-toluonitrile,y7zd7dk3ay,a,a,a-trifluor-m-tolunitril PubChem CID: 67783 IUPAC Name: 3-(trifluoromethyl)benzonitrile SMILES: C1=CC(=CC(=C1)C(F)(F)F)C#N
| PubChem CID | 67783 |
|---|---|
| CAS | 368-77-4 |
| Molecular Weight (g/mol) | 171.122 |
| MDL Number | MFCD00001807 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C#N |
| Synonym | 3-trifluoromethyl benzonitrile,3-cyanobenzotrifluoride,m-trifluoromethylbenzonitrile,alpha,alpha,alpha-trifluoro-m-tolunitrile,benzonitrile, 3-trifluoromethyl,a,a,a-trifluoro-m-tolunitrile,unii-y7zd7dk3ay,alpha,alpha,alpha-trifluoro-m-toluonitrile,y7zd7dk3ay,a,a,a-trifluor-m-tolunitril |
| IUPAC Name | 3-(trifluoromethyl)benzonitrile |
| InChI Key | OGOBINRVCUWLGN-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3N |
2-(4-Bromophenyl)triphenylene 98.0+%, TCI America™
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CAS: 1158227-56-5 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: FWESVNIHRVSDDV-UHFFFAOYSA-N PubChem CID: 58174854 IUPAC Name: 2-(4-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25
| PubChem CID | 58174854 |
|---|---|
| CAS | 1158227-56-5 |
| Molecular Weight (g/mol) | 383.288 |
| SMILES | C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=C(C=C4)Br)C5=CC=CC=C25 |
| IUPAC Name | 2-(4-bromophenyl)triphenylene |
| InChI Key | FWESVNIHRVSDDV-UHFFFAOYSA-N |
| Molecular Formula | C24H15Br |