Sulfo-Cy7.5 NHS ester Potassium

Catalog No. :
ACQHDX096
CAS No. :
2736437-44-6
Molecular Formula :
C49H50KN3O16S4
Molecular Weight :
1104.31

IUPAC Name:potassium (Z)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-2-((Z)-2-(3-((E)-2-(1,1,3-trimethyl-6,8-disulfo-1H-benzo[e]indol-3-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-2,3-dihydro-1H-benzo[e]indole-6,8-disulfonate

Sulfo-Cy7.5 NHS ester Potassium structure diagram
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Product Information

Product NameSulfo-Cy7.5 NHS ester Potassium
IUPAC Namepotassium (Z)-3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-2-((Z)-2-(3-((E)-2-(1,1,3-trimethyl-6,8-disulfo-1H-benzo[e]indol-3-ium-2-yl)vinyl)cyclohex-2-en-1-ylidene)ethylidene)-2,3-dihydro-1H-benzo[e]indole-6,8-disulfonate
Molecular FormulaC49H50KN3O16S4
Molecular Weight1104.31
SMILESO=S(C1=CC(S(=O)(O)=O)=C2C(C3=C([N+](CCCCCC(ON4C(CCC4=O)=O)=O)=C(/C=C/C5=C/C(CCC5)=C\C=C6N(C)C7=C(C8=CC(S(=O)([O-])=O)=CC(S(=O)(O)=O)=C8C=C7)C/6(C)C)C3(C)C)C=C2)=C1)([O-])=O.[K+]
InChI KeyHDBJLDCQQJVKRA-UHFFFAOYSA-M
Synonym1H-Benz[e]indolium, 2-[2-[3-[2-(1,3-dihydro-1,1,3-trimethyl-6,8-disulfo-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-3-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,1-dimethyl-6,8-disulfo-, inner salt, potassium salt (1:1)
CAS No.2736437-44-6

Synthetic Route by SureRoute

1. ACQHDX096 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACQHDX096 route product structure diagram
    ACQHDX0962736437-44-6
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2. ACQHDX096 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACQHDX096 route product structure diagram
    ACQHDX0962736437-44-6
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