CAS 1558079-49-4 appears in our catalog under these names: IR-825, 97% mix TBC as stabilizer, IR–825, IR-825 97% mix TBC as stabilizer, IR-825, 97% mix TBC as stabilizer, 97% mix TBC as stabilizer, IR-825, 98.27%. Offered by: AmBeed, GLPBio, Chemat, MedChemExpress. Available pack sizes: 250mg, 5mg, 25mg, 100mg, 5 mg, 100 mg, 10 mg, 50 mg.
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 (CAS 1558079-49-4) is a chemical compound with the molecular formula C54H48ClN2O4+ and a molecular weight of 824.4 g/mol. IUPAC name: 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. InChIKey: SPEHNGMUCASLRM-UHFFFAOYSA-O.
| Molecular formula | C54H48ClN2O4+ |
|---|---|
| Molecular weight | 824.4 g/mol |
| IUPAC name | 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 |
| InChIKey | SPEHNGMUCASLRM-UHFFFAOYSA-O |
| SMILES | CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CC4=CC=C(C=C4)C(=O)O)C=CC5=C(C(=CC=C6C(C7=C(N6CC8=CC=C(C=C8)C(=O)O)C=CC9=CC=CC=C97)(C)C)CCC5)Cl)C |
Computed by PubChem (NCBI)