6-(1,1,2-Trimethyl-7-sulfo-1H-benzo[e]indol-3-ium-3-yl)hexanoate

Catalog No. :
ACBFDM003
CAS No. :
198422-86-5
Molecular Formula :
C21H25NO5S
Molecular Weight :
403.5

IUPAC Name:3-(5-carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium-7-sulfonate

6-(1,1,2-Trimethyl-7-sulfo-1H-benzo[e]indol-3-ium-3-yl)hexanoate structure diagram
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Product Information

Product Name6-(1,1,2-Trimethyl-7-sulfo-1H-benzo[e]indol-3-ium-3-yl)hexanoate
IUPAC Name3-(5-carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium-7-sulfonate
Molecular FormulaC21H25NO5S
Molecular Weight403.5
SMILESCC1(C)C(C)=[N+](CCCCCC([O-])=O)C2=C1C3=CC=C(S(O)(=O)=O)C=C3C=C2
InChI KeyVUVMINYRQMRPJH-UHFFFAOYSA-N
Synonym3-(5-Carboxypentyl)-1,1,2-trimethyl-1H-benzo[e]indol-3-ium-7-sulfonate
CAS No.198422-86-5

Synthetic Route by SureRoute

1. ACBFDM003 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. ACBFDM003 route product structure diagram
    ACBFDM003198422-86-5
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2. ACBFDM003 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACBFDM003 route product structure diagram
    ACBFDM003198422-86-5
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