Account ICy-Q
- Catalog No. :
- ACTDHF419
- CAS No. :
- 2863682-83-9
- Molecular Formula :
- C48H50IN2O5+
- Molecular Weight :
- 861.84
IUPAC Name:2-(2-(6-((4-(N,3-dimethyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamido)benzyl)oxy)-2,3-dihydro-1H-xanthen-4-yl)vinyl)-5-iodo-1,3,3-trimethyl-3H-indol-1-ium
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Product Information
| Product Name | ICy-Q |
|---|---|
| IUPAC Name | 2-(2-(6-((4-(N,3-dimethyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamido)benzyl)oxy)-2,3-dihydro-1H-xanthen-4-yl)vinyl)-5-iodo-1,3,3-trimethyl-3H-indol-1-ium |
| Molecular Formula | C48H50IN2O5+ |
| Molecular Weight | 861.84 |
| SMILES | CC1=C(C)C(=O)C(C(C)(C)CC(=O)N(C)C2=CC=C(COC3=CC4=C(C=C5CCCC(C=CC6=[N+](C)C7=C(C=C(I)C=C7)C6(C)C)=C5O4)C=C3)C=C2)=C(C)C1=O |
| InChI Key | BPFFHLPEVVTHTF-UHFFFAOYSA-N |
| Synonym | ICy-Q;3H-Indolium, 2-[2-[2,3-dihydro-6-[[4-[methyl[3-methyl-1-oxo-3-(2,4,5-trimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)butyl]amino]phenyl]methoxy]-1H-xanthen-4-yl]ethenyl]-5-iodo-1,3,3-trimethyl-, iodide (1:1) |
| CAS No. | 2863682-83-9 |
Synthetic Route by SureRoute
2. ACTDHF419 Molecular Building Block Synthetic Route
ICy-OH
(E)-2-(2-(6-((4-Methoxybenzyl)oxy)-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium
(E)-2-(2-(6-Hydroxy-2,3-dihydro-1H-xanthen-4-yl)vinyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium