Products 173894-27-4

CAS 173894-27-4 appears in our catalog under these names: S 0207 - FEW Chemicals, 661 nm in MeOH, 1 g, glass, S 0207 - FEW Chemicals, 661 nm in MeOH, 5 g, plastic, S 0207 - FEW Chemicals, 661 nm in MeOH, 10 g, plastic. Offered by: Roth. Available pack sizes: 1g, 5g, 10g.

Structural formula: {0} (CAS {1})

3-butyl-2-[5-(3,3-dimethyl-1-propylindol-2-ylidene)penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium perchlorate (CAS 173894-27-4) is a chemical compound with the molecular formula C36H43ClN2O4 and a molecular weight of 603.2 g/mol. IUPAC name: 3-butyl-2-[5-(3,3-dimethyl-1-propylindol-2-ylidene)penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium perchlorate. InChIKey: PGPWEZXRVJBHRE-UHFFFAOYSA-M.

Identity
Molecular formulaC36H43ClN2O4
Molecular weight603.2 g/mol
IUPAC name3-butyl-2-[5-(3,3-dimethyl-1-propylindol-2-ylidene)penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium perchlorate
InChIKeyPGPWEZXRVJBHRE-UHFFFAOYSA-M
SMILESCCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=CC=CC=C4C(C5=CC=CC=C5N4CCC)(C)C.[O-]Cl(=O)(=O)=O

Computed by PubChem (NCBI)