Products 460337-33-1
CAS 460337-33-1 appears in our catalog under these names: S 0809 - FEW Chemicals, 816 nm in MeOH, 1 g, glass, S 0809 - FEW Chemicals, 816 nm in MeOH, 5 g, plastic, S 0809 - FEW Chemicals, 816 nm in MeOH, 10 g, plastic. Offered by: Roth. Available pack sizes: 1g, 5g, 10g.
(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;4-methylbenzenesulfonate (CAS 460337-33-1) is a chemical compound with the molecular formula C49H51ClN2O3S and a molecular weight of 783.5 g/mol. IUPAC name: (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;4-methylbenzenesulfonate. InChIKey: DSCYRBZZAYJOOE-UHFFFAOYSA-M.
| Molecular formula | C49H51ClN2O3S |
|---|---|
| Molecular weight | 783.5 g/mol |
| IUPAC name | (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3-ethyl-1,1-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-ethyl-1,1-dimethylbenzo[e]indole;4-methylbenzenesulfonate |
| InChIKey | DSCYRBZZAYJOOE-UHFFFAOYSA-M |
| SMILES | CCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C\C=C\4/CCCC(=C4Cl)/C=C/C5=[N+](C6=C(C5(C)C)C7=CC=CC=C7C=C6)CC)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Computed by PubChem (NCBI)