Benzenoids
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1,3-Bis(2-hydroxyethoxy)benzene 98.0+%, TCI America™
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CAS: 102-40-9 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.22 MDL Number: MFCD00016566 InChI Key: IAXFZZHBFXRZMT-UHFFFAOYSA-N Synonym: Resorcinol Bis(beta-hydroxyethyl) Ether PubChem CID: 66885 IUPAC Name: 2-[3-(2-hydroxyethoxy)phenoxy]ethan-1-ol SMILES: OCCOC1=CC(OCCO)=CC=C1
| PubChem CID | 66885 |
|---|---|
| CAS | 102-40-9 |
| Molecular Weight (g/mol) | 198.22 |
| MDL Number | MFCD00016566 |
| SMILES | OCCOC1=CC(OCCO)=CC=C1 |
| Synonym | Resorcinol Bis(beta-hydroxyethyl) Ether |
| IUPAC Name | 2-[3-(2-hydroxyethoxy)phenoxy]ethan-1-ol |
| InChI Key | IAXFZZHBFXRZMT-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
2-(p-Tolyl)benzoic Acid 98.0+%, TCI America™
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CAS: 7148-03-0 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00045826 InChI Key: ZSTUEICKYWFYIC-UHFFFAOYSA-N PubChem CID: 81568 IUPAC Name: 2-(4-methylphenyl)benzoic acid SMILES: CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O
| PubChem CID | 81568 |
|---|---|
| CAS | 7148-03-0 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00045826 |
| SMILES | CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O |
| IUPAC Name | 2-(4-methylphenyl)benzoic acid |
| InChI Key | ZSTUEICKYWFYIC-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Methyl 2,5-Dihydroxybenzoate 98.0+%, TCI America™
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CAS: 2150-46-1 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00016464 InChI Key: XGDPKUKRQHHZTH-UHFFFAOYSA-N Synonym: methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 PubChem CID: 75077 IUPAC Name: methyl 2,5-dihydroxybenzoate SMILES: COC(=O)C1=CC(O)=CC=C1O
| PubChem CID | 75077 |
|---|---|
| CAS | 2150-46-1 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00016464 |
| SMILES | COC(=O)C1=CC(O)=CC=C1O |
| Synonym | methyl gentisate,gentisic acid methyl ester,methyl2,5-dihydroxybenzoate,benzoic acid, 2,5-dihydroxy-, methyl ester,methyl dihydroxybenzoate,2,5-dihydroxybenzoic acid methyl ester,gentisic acid, methyl ester,methyl-2,5-dihydroxybenzoate,unii-ls28b004km,rarechem al bf 0043 |
| IUPAC Name | methyl 2,5-dihydroxybenzoate |
| InChI Key | XGDPKUKRQHHZTH-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
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CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2-Bromo-5-fluorobenzoic Acid 98.0+%, TCI America™
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CAS: 394-28-5 Molecular Formula: C7H3BrFO2 Molecular Weight (g/mol): 218.00 MDL Number: MFCD00142874 InChI Key: OQBMJMJZMDBQSM-UHFFFAOYSA-M Synonym: benzoic acid, 2-bromo-5-fluoro,5-fluoro-2-bromobenzoic acid,2-bromo-5-fluoro-benzoic acid,2-bromo-5-fluorobenzoicacid,2-bromo-5-fluorbenzoic acid,buttpark 19\01-66,pubchem1315,acmc-1ahhq,ksc226g3p,rarechem al bo 0747 PubChem CID: 2778181 IUPAC Name: 2-bromo-5-fluorobenzoate SMILES: [O-]C(=O)C1=CC(F)=CC=C1Br
| PubChem CID | 2778181 |
|---|---|
| CAS | 394-28-5 |
| Molecular Weight (g/mol) | 218.00 |
| MDL Number | MFCD00142874 |
| SMILES | [O-]C(=O)C1=CC(F)=CC=C1Br |
| Synonym | benzoic acid, 2-bromo-5-fluoro,5-fluoro-2-bromobenzoic acid,2-bromo-5-fluoro-benzoic acid,2-bromo-5-fluorobenzoicacid,2-bromo-5-fluorbenzoic acid,buttpark 19\01-66,pubchem1315,acmc-1ahhq,ksc226g3p,rarechem al bo 0747 |
| IUPAC Name | 2-bromo-5-fluorobenzoate |
| InChI Key | OQBMJMJZMDBQSM-UHFFFAOYSA-M |
| Molecular Formula | C7H3BrFO2 |
2-(Trifluoromethoxy)benzyl Alcohol 96.0+%, TCI America™
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CAS: 175278-07-6 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.14 MDL Number: MFCD00153285 InChI Key: ICOVMLDFMWLRJO-UHFFFAOYSA-N Synonym: 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 PubChem CID: 2777245 IUPAC Name: [2-(trifluoromethoxy)phenyl]methanol SMILES: OCC1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777245 |
|---|---|
| CAS | 175278-07-6 |
| Molecular Weight (g/mol) | 192.14 |
| MDL Number | MFCD00153285 |
| SMILES | OCC1=CC=CC=C1OC(F)(F)F |
| Synonym | 2-trifluoromethoxy benzyl alcohol,2-trifluoromethoxy phenyl methanol,2-trifluoromethoxy benzylalcohol,2-trifluoromethoxybenzyl alcohol,benzenemethanol, 2-trifluoromethoxy,2-trifluoromethoxy phenyl methan-1-ol,pubchem2745,acmc-209e9m,rarechem al bd 0282 |
| IUPAC Name | [2-(trifluoromethoxy)phenyl]methanol |
| InChI Key | ICOVMLDFMWLRJO-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol 98.0+%, TCI America™
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CAS: 127852-28-2 Molecular Formula: C10H8F6O Molecular Weight (g/mol): 258.16 MDL Number: MFCD03093010 InChI Key: MMSCIQKQJVBPIR-UHFFFAOYNA-N Synonym: r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 PubChem CID: 2779031 IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol SMILES: CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 2779031 |
|---|---|
| CAS | 127852-28-2 |
| Molecular Weight (g/mol) | 258.16 |
| MDL Number | MFCD03093010 |
| SMILES | CC(O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | r-1-3,5-bis trifluoromethyl phenyl ethanol,1r-1-3,5-bis trifluoromethyl phenyl ethanol,r-1-3,5-bis-trifluoromethyl-phenyl-ethanol,r-1-3,5-bis-trifluoromethylphenyl ethanol,r-1-3,5-bis trifluoromethyl phenyl ethan-1-ol,benzenemethanol, a-methyl-3,5-bis trifluoromethyl-, ar,zlchem 1281 |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol |
| InChI Key | MMSCIQKQJVBPIR-UHFFFAOYNA-N |
| Molecular Formula | C10H8F6O |
Ethyl Violet, TCI America™
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CAS: 2390-59-2 Molecular Formula: C31H42ClN3 Molecular Weight (g/mol): 492.15 MDL Number: MFCD00011765 InChI Key: JVICFMRAVNKDOE-UHFFFAOYSA-M Synonym: ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj PubChem CID: 16955 IUPAC Name: tris[4-(diethylamino)phenyl]methylium chloride SMILES: [Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC
| PubChem CID | 16955 |
|---|---|
| CAS | 2390-59-2 |
| Molecular Weight (g/mol) | 492.15 |
| MDL Number | MFCD00011765 |
| SMILES | [Cl-].CCN(CC)C1=CC=C(C=C1)[C+](C1=CC=C(C=C1)N(CC)CC)C1=CC=C(C=C1)N(CC)CC |
| Synonym | ethyl violet,basic violet 4,c.i. basic violet 4,ethyl violet ax,ethyl violet gga,ethyl crystal violet,lowacryl violet 4,shikiso acid brilliant blue 6b,ethyl violet biological stain,unii-94uz9rd7tj |
| IUPAC Name | tris[4-(diethylamino)phenyl]methylium chloride |
| InChI Key | JVICFMRAVNKDOE-UHFFFAOYSA-M |
| Molecular Formula | C31H42ClN3 |
Pentacene (purified by sublimation), TCI America™
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CAS: 135-48-8 Molecular Formula: C22H14 Molecular Weight (g/mol): 278.35 MDL Number: MFCD00003710 InChI Key: SLIUAWYAILUBJU-UHFFFAOYSA-N Synonym: benzo b naphthacene,lin-dibenzanthracene,lin-naphthoanthracene,2,3:6,7-dibenzanthracene,unii-9fqu5ha0uy,9fqu5ha0uy,pentacen-2-yl,pentacene,2,7-dibenzanthracene PubChem CID: 8671 ChEBI: CHEBI:33148 IUPAC Name: pentacene SMILES: C1=CC2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C2C=C1
| PubChem CID | 8671 |
|---|---|
| CAS | 135-48-8 |
| Molecular Weight (g/mol) | 278.35 |
| ChEBI | CHEBI:33148 |
| MDL Number | MFCD00003710 |
| SMILES | C1=CC2=CC3=CC4=CC5=CC=CC=C5C=C4C=C3C=C2C=C1 |
| Synonym | benzo b naphthacene,lin-dibenzanthracene,lin-naphthoanthracene,2,3:6,7-dibenzanthracene,unii-9fqu5ha0uy,9fqu5ha0uy,pentacen-2-yl,pentacene,2,7-dibenzanthracene |
| IUPAC Name | pentacene |
| InChI Key | SLIUAWYAILUBJU-UHFFFAOYSA-N |
| Molecular Formula | C22H14 |
Diisobutyl Perylenedicarboxylate (mixture of regioisomers) 98.0+%, TCI America™
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CAS: 2744-50-5 Molecular Formula: C30H28O4 Molecular Weight (g/mol): 452.55 MDL Number: MFCD00191681 InChI Key: YLNJGHNUXCVDIX-UHFFFAOYSA-N Synonym: Perylenedicarboxylic Acid Diisobutyl Ester PubChem CID: 75973 IUPAC Name: bis(2-methylpropyl) perylene-3,9-dicarboxylate SMILES: CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)OCC(C)C
| PubChem CID | 75973 |
|---|---|
| CAS | 2744-50-5 |
| Molecular Weight (g/mol) | 452.55 |
| MDL Number | MFCD00191681 |
| SMILES | CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)OCC(C)C |
| Synonym | Perylenedicarboxylic Acid Diisobutyl Ester |
| IUPAC Name | bis(2-methylpropyl) perylene-3,9-dicarboxylate |
| InChI Key | YLNJGHNUXCVDIX-UHFFFAOYSA-N |
| Molecular Formula | C30H28O4 |
2-Bromo-4-chloro-6-fluoroaniline 98.0+%, TCI America™
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CAS: 195191-47-0 Molecular Formula: C6H4BrClFN Molecular Weight (g/mol): 224.46 MDL Number: MFCD00070746 InChI Key: HBHBARSMRVAINH-UHFFFAOYSA-N Synonym: 6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine PubChem CID: 2736222 IUPAC Name: 2-bromo-4-chloro-6-fluoroaniline SMILES: NC1=C(Br)C=C(Cl)C=C1F
| PubChem CID | 2736222 |
|---|---|
| CAS | 195191-47-0 |
| Molecular Weight (g/mol) | 224.46 |
| MDL Number | MFCD00070746 |
| SMILES | NC1=C(Br)C=C(Cl)C=C1F |
| Synonym | 6-bromo-4-chloro-2-fluoroaniline,2-amino-1-bromo-5-chloro-3-fluorobenzene,2-fluoro-4-chloro-6-bromoaniline,benzenamine, 2-bromo-4-chloro-6-fluoro,pubchem2916,acmc-1cbvw,2-bromo-4-chloro-6-fluoro-aniline,2-fluoro-4-chloro-6-bromo aniline,2-bromo-4-chloro-6-fluorobenzenamine,2-bromo-4-chloro-6-fluorophenylamine |
| IUPAC Name | 2-bromo-4-chloro-6-fluoroaniline |
| InChI Key | HBHBARSMRVAINH-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrClFN |
Ethoxycarbonylmethyl(triphenyl)phosphonium Bromide 97.0+%, TCI America™
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CAS: 1530-45-6 Molecular Formula: C22H22BrO2P Molecular Weight (g/mol): 429.29 MDL Number: MFCD00011835 InChI Key: VJVZPTPOYCJFNI-UHFFFAOYSA-M Synonym: carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide PubChem CID: 73731 IUPAC Name: (2-ethoxy-2-oxoethyl)triphenylphosphanium bromide SMILES: [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 73731 |
|---|---|
| CAS | 1530-45-6 |
| Molecular Weight (g/mol) | 429.29 |
| MDL Number | MFCD00011835 |
| SMILES | [Br-].CCOC(=O)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | carbethoxymethyl triphenylphosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphonium bromide,ethoxycarbonylmethyl triphenylphosphonium bromide,carbethoxymethylenetriphenylphosphonium bromide,ethoxycarbonylmethyl triphenyl phosphonium bromide,phosphonium, 2-ethoxy-2-oxoethyl triphenyl-, bromide,carbethoxymethyl-triphenyl-phosphonium bromide,2-ethoxy-2-oxoethyl triphenylphosphanium bromide,carboethoxymethyl triphenylphosphonium bromide,phosphonium, ethoxycarbonylmethyl triphenyl-, bromide |
| IUPAC Name | (2-ethoxy-2-oxoethyl)triphenylphosphanium bromide |
| InChI Key | VJVZPTPOYCJFNI-UHFFFAOYSA-M |
| Molecular Formula | C22H22BrO2P |
1-(4-Hydroxyphenyl)-5-mercapto-1H-tetrazole 90.0+%, TCI America™
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CAS: 52431-78-4 Molecular Formula: C7H6N4OS Molecular Weight (g/mol): 194.212 MDL Number: MFCD00132898 InChI Key: MOXZSKYLLSPATM-UHFFFAOYSA-N Synonym: 1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol PubChem CID: 3034725 IUPAC Name: 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione SMILES: C1=CC(=CC=C1N2C(=S)N=NN2)O
| PubChem CID | 3034725 |
|---|---|
| CAS | 52431-78-4 |
| Molecular Weight (g/mol) | 194.212 |
| MDL Number | MFCD00132898 |
| SMILES | C1=CC(=CC=C1N2C(=S)N=NN2)O |
| Synonym | 1-4-hydroxyphenyl-5-mercaptotetrazole,1-4-hydroxyphenyl-1h-tetrazole-5-thiol,1-4-hydroxyphenyl-2h-tetrazole-5-thione,1-4-hydroxyphenyl-5-mercapto-1h-tetrazole,5h-tetrazole-5-thione, 1,2-dihydro-1-4-hydroxyphenyl,1-4-hydroxyphenyl-1h-tetrazole-5 4h-thione,4-5-sulfanyl-1h-1,2,3,4-tetrazol-1-yl phenol,1,2-dihydro-1-p-hydroxyphenyl-5h-tetrazole-5-thione,4-5-mercapto-1h-tetrazol-1-yl phenol,4-5-sulfanyl-1h-tetrazol-1-yl phenol |
| IUPAC Name | 1-(4-hydroxyphenyl)-2H-tetrazole-5-thione |
| InChI Key | MOXZSKYLLSPATM-UHFFFAOYSA-N |
| Molecular Formula | C7H6N4OS |
4-Chloro-3-nitrophenyl Methyl Sulfone 98.0+%, TCI America™
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CAS: 97-07-4 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00039754 InChI Key: JAANTSGNTKWLFA-UHFFFAOYSA-N PubChem CID: 66796 IUPAC Name: 1-chloro-4-methylsulfonyl-2-nitrobenzene SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
| PubChem CID | 66796 |
|---|---|
| CAS | 97-07-4 |
| Molecular Weight (g/mol) | 235.638 |
| MDL Number | MFCD00039754 |
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| IUPAC Name | 1-chloro-4-methylsulfonyl-2-nitrobenzene |
| InChI Key | JAANTSGNTKWLFA-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
4-(4-Butylphenylazo)phenol 98.0+%, TCI America™
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CAS: 2496-21-1 Molecular Formula: C16H18N2O Molecular Weight (g/mol): 254.333 MDL Number: MFCD00430795 InChI Key: MHSQAHVLQVTXKH-UHFFFAOYSA-N PubChem CID: 5705751 IUPAC Name: 4-[(4-butylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one SMILES: CCCCC1=CC=C(C=C1)NN=C2C=CC(=O)C=C2
| PubChem CID | 5705751 |
|---|---|
| CAS | 2496-21-1 |
| Molecular Weight (g/mol) | 254.333 |
| MDL Number | MFCD00430795 |
| SMILES | CCCCC1=CC=C(C=C1)NN=C2C=CC(=O)C=C2 |
| IUPAC Name | 4-[(4-butylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one |
| InChI Key | MHSQAHVLQVTXKH-UHFFFAOYSA-N |
| Molecular Formula | C16H18N2O |