Products 1636906-82-5

CAS 1636906-82-5 is the registry number for 1-Ethyl-2-(2-(3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)-2-((4-nitrobenzoyl)oxy)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium chloride, 95%. Offered by: Ambeed, BLDpharm. Available pack sizes: 250mg, 1g, 50mg, 100mg.

1-Ethyl-2-(2-(3-(2-(1-ethyl-3,3-dimethylindolin-2-ylidene)ethylidene)-2-((4-nitrobenzoyl)oxy)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium chloride, 95%
Ambeed, BLDpharm
  • size: 250mg, 1g, 50mg, 100mg
  • Variants: 6
from 958.58
View product
Structural formula: {0} (CAS {1})

[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-6-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl] 4-nitrobenzoate;chloride (CAS 1636906-82-5) is a chemical compound with the molecular formula C41H44ClN3O4 and a molecular weight of 678.3 g/mol. IUPAC name: [(6E)-2-[(E)-2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-6-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl] 4-nitrobenzoate;chloride. InChIKey: WHTRICYUUVECGP-UHFFFAOYSA-M.

Identity
Molecular formulaC41H44ClN3O4
Molecular weight678.3 g/mol
IUPAC name[(6E)-2-[(E)-2-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)ethenyl]-6-[(2Z)-2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl] 4-nitrobenzoate;chloride
InChIKeyWHTRICYUUVECGP-UHFFFAOYSA-M
SMILESCCN\1C2=CC=CC=C2C(/C1=C/C=C/3\CCCC(=C3OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CC)(C)C.[Cl-]

Computed by PubChem (NCBI)