CAS 442912-55-2 appears in our catalog under these names: Cy5.5-se, 95%, Cy5·5–SE, Cy5.5-SE 95% (TEA salt), Cy5.5-SE, ≥98%, ≥98%, Cy5.5-SE, 98.0%. Offered by: Combi-blocks, GLPBio, Ambeed, Chemat, MedChemExpress. Available pack sizes: 100mg, 1mg, 10mg, 5mg, 50mg, 25mg, 5 mg, 10 mg.
2-[5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate (CAS 442912-55-2) is a chemical compound with the molecular formula C45H47N3O16S4 and a molecular weight of 1014.1 g/mol. IUPAC name: 2-[5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate. InChIKey: DOMDXTIMIZCSNC-UHFFFAOYSA-N.
| Molecular formula | C45H47N3O16S4 |
|---|---|
| Molecular weight | 1014.1 g/mol |
| IUPAC name | 2-[5-[3-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-3-ethyl-1,1-dimethyl-8-sulfobenzo[e]indole-6-sulfonate |
| InChIKey | DOMDXTIMIZCSNC-UHFFFAOYSA-N |
| SMILES | CCN1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)[O-])C(C1=CC=CC=CC4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)O)CCCCCC(=O)ON7C(=O)CCC7=O)(C)C |
Computed by PubChem (NCBI)