Products 134127-48-3
CAS 134127-48-3 appears in our catalog under these names: S 0094 - FEW Chemicals, 813 nm in MeOH, 10 g, plastic, 2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-1h-benz[e]indolium 4-methylbenzenesulfonate, 98%, IR 813 (tosylate), IR-813 p-Toluenesulfonate, >98.0%(HPLC), IR-813 98%. Offered by: Roth, Combi-blocks, GLPBio, TCI, Ambeed. Available pack sizes: 10g, 5g, 1g, 25g, 250mg, 100mg, 10mM/1mL, 500 mg.
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate (CAS 134127-48-3) is a chemical compound with the molecular formula C47H47ClN2O3S and a molecular weight of 755.4 g/mol. IUPAC name: (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate. InChIKey: LQVQHHTYXSPHSQ-UHFFFAOYSA-M.
| Molecular formula | C47H47ClN2O3S |
|---|---|
| Molecular weight | 755.4 g/mol |
| IUPAC name | (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;4-methylbenzenesulfonate |
| InChIKey | LQVQHHTYXSPHSQ-UHFFFAOYSA-M |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=C(/C(=C/C=C/5\C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C |
Computed by PubChem (NCBI)