Products 594864-80-9

CAS 594864-80-9 is the registry number for Cypate. Offered by: Sigma-Aldrich. Available pack sizes: 10MG, 50MG.

Cypate
Sigma-Aldrich
  • size: 10MG, 50MG
  • Variants: 2
from 438.00
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Structural formula: {0} (CAS {1})

3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid chloride (CAS 594864-80-9) is a chemical compound with the molecular formula C41H41ClN2O4 and a molecular weight of 661.2 g/mol. IUPAC name: 3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid chloride. InChIKey: DRQWRIGXXWTGCT-UHFFFAOYSA-N.

Identity
Molecular formulaC41H41ClN2O4
Molecular weight661.2 g/mol
IUPAC name3-[(2E)-2-[(2E,4E,6E)-7-[3-(2-carboxyethyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid chloride
InChIKeyDRQWRIGXXWTGCT-UHFFFAOYSA-N
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCC(=O)O)/C=C/C=C/C=C/C=C/4\C(C5=C(N4CCC(=O)O)C=CC6=CC=CC=C65)(C)C)C.[Cl-]

Computed by PubChem (NCBI)