3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate

Catalog No. :
ACVTGS306
CAS No. :
76588-81-3
Molecular Formula :
C14H19NO6S2
Molecular Weight :
361.44

IUPAC Name:2,3,3-trimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate

3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate structure diagram
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Product Information

Product Name3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate
IUPAC Name2,3,3-trimethyl-1-(3-sulfopropyl)-3H-indol-1-ium-5-sulfonate
Molecular FormulaC14H19NO6S2
Molecular Weight361.44
SMILESO=S(C1=CC2=C([N+](CCCS(=O)(O)=O)=C(C)C2(C)C)C=C1)([O-])=O
InChI KeyIJNKOCJUWUUMCV-UHFFFAOYSA-N
Synonym3-(2,3,3-Trimethyl-5-sulfo-3H-indol-1-ium-1-yl)propane-1-sulfonate;2,3,3-Trimethyl-1-(4-sulfobutyl)-3H-indol-1-ium-5-sulfonate;IR800 int;sulfo Cy int(C4SO3)
CAS No.76588-81-3

Synthetic Route by SureRoute

1. ACVTGS306 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACBFSC511 route compound structure diagram
    ACBFSC51143086-58-4
  4. Then
  5. ACVTGS306 route product structure diagram
    ACVTGS30676588-81-3
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2. ACVTGS306 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACHQON943 route compound structure diagram
    ACHQON943132557-72-3 In Stock
  2. Plus
  3. ACUAMT395 route compound structure diagram
    ACUAMT39555788-44-8 In Stock
  4. Then
  5. ACVTGS306 route product structure diagram
    ACVTGS30676588-81-3
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