Account 3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
- Catalog No. :
- ACSTQH173
- CAS No. :
- 1558000-75-1
- Molecular Formula :
- C54H48BrClN2O4
- Molecular Weight :
- 904.34
IUPAC Name:3-(4-carboxybenzyl)-2-((E)-2-((E)-3-((E)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
![3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
|---|---|
| IUPAC Name | 3-(4-carboxybenzyl)-2-((E)-2-((E)-3-((E)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
| Molecular Formula | C54H48BrClN2O4 |
| Molecular Weight | 904.34 |
| SMILES | CC1(C(C=CC2=C(C(CCC2)=CC=C3N(C4=C(C3(C)C)C5=CC=CC=C5C=C4)CC6=CC=C(C=C6)C(O)=O)Cl)=[N+](C7=C1C8=CC=CC=C8C=C7)CC9=CC=C(C=C9)C(O)=O)C.[Br-] |
| InChI Key | BAUXJOQQUWDIAO-UHFFFAOYSA-N |
| Synonym | 4-[[2-[2-[3-[2-[3-[(4-Carboxyphenyl)methyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]methyl]benzoic acid;4-[[(2E)-2-[(2E)-2-[3-[(E)-2-[3-[(4-Carboxyphenyl)methyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-1,1-dimethylbenzo[e]indol-3-yl]methyl]benzoic acid;3-(4-carboxybenzyl)-2-((Z)-2-((E)-3-((Z)-2-(3-(4-carboxybenzyl)-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide;3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide |
| CAS No. | 1558000-75-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Synthetic Route by SureRoute
2. ACSTQH173 Molecular Building Block Synthetic Route
3-(4-Carboxybenzyl)-2-(2-(3-(2-(3-(4-carboxybenzyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium
3-Benzyl-2-(2-(3-(2-(3-benzyl-1,1-dimethyl-1H-benzo[e]indol-2(3H)-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide
1-(4-Carboxybenzyl)-2-(2-(3-(2-(1-(4-carboxybenzyl)-3,3-dimethylindolin-2-ylidene)ethylidene)-2-chlorocyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium bromide