3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-8-sulfo-2-(5-(1,1,3-trimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6-sulfonate

Catalog No. :
ACQJVQ201
CAS No. :
2419286-91-0
Molecular Formula :
C44H45N3O16S4
Molecular Weight :
1000.12

IUPAC Name:3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-8-sulfo-2-(5-(1,1,3-trimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6-sulfonate

3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-8-sulfo-2-(5-(1,1,3-trimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6-sulfonate structure diagram
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Product Information

Product Name3-(6-((2,5-Dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-8-sulfo-2-(5-(1,1,3-trimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6-sulfonate
IUPAC Name3-(6-((2,5-dioxopyrrolidin-1-yl)oxy)-6-oxohexyl)-1,1-dimethyl-8-sulfo-2-(5-(1,1,3-trimethyl-6,8-disulfo-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl)-1H-benzo[e]indol-3-ium-6-sulfonate
Molecular FormulaC44H45N3O16S4
Molecular Weight1000.12
SMILESCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)ON3C(=O)CCC3=O)C3=C(C4=C(C=C3)C(S(=O)(=O)[O-])=CC(S(=O)(=O)O)=C4)C2(C)C)C(C)(C)C2=C3C=C(S(=O)(=O)O)C=C(S(=O)(=O)O)C3=CC=C21
InChI KeyZPWIMWRUZMLFBF-UHFFFAOYSA-N
Synonym1H-Benz[e]indolium, 2-[5-(1,3-dihydro-1,1,3-trimethyl-6,8-disulfo-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-3-[6-[(2,5-dioxo-1-pyrrolidinyl)oxy]-6-oxohexyl]-1,1-dimethyl-6,8-disulfo-, inner salt
CAS No.2419286-91-0

Synthetic Route by SureRoute

1. ACQJVQ201 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. ACQJVQ201 route product structure diagram
    ACQJVQ2012419286-91-0
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2. ACQJVQ201 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. ACQJVQ201 route product structure diagram
    ACQJVQ2012419286-91-0
Inquiry

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