Products 2952712-68-2
CAS 2952712-68-2 is the registry number for CYP1B1-IN-6. Offered by: MedChemExpress. Available pack sizes: Get quote.
3-ethyl-2-[5-[3-[6-[2-[2-[2-[2-[3-fluoro-5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid (CAS 2952712-68-2) is a chemical compound with the molecular formula C71H77FN3O22S4+ and a molecular weight of 1471.6 g/mol. IUPAC name: 3-ethyl-2-[5-[3-[6-[2-[2-[2-[2-[3-fluoro-5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid. InChIKey: QOJJYJBQTOBJGR-UHFFFAOYSA-O.
| Molecular formula | C71H77FN3O22S4+ |
|---|---|
| Molecular weight | 1471.6 g/mol |
| IUPAC name | 3-ethyl-2-[5-[3-[6-[2-[2-[2-[2-[3-fluoro-5-(6,7,10-trimethoxy-4-oxobenzo[h]chromen-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethylbenzo[e]indole-6,8-disulfonic acid |
| InChIKey | QOJJYJBQTOBJGR-UHFFFAOYSA-O |
| 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)NCCOCCOCCOCCOC7=CC(=CC(=C7)C8=CC(=O)C9=C(O8)C1=C(C=CC(=C1C(=C9)OC)OC)OC)F)(C)C |
Computed by PubChem (NCBI)
Synonyms:
orb3133330