Sodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate hemihydrate

Catalog No. :
ACGDVW568
CAS No. :
916445-22-2
Molecular Formula :
C30H36Na2O7S2
Molecular Weight :
618.72

IUPAC Name:sodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate hydrate

Sodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate hemihydrate structure diagram
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Product Information

Product NameSodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate hemihydrate
IUPAC Namesodium 5-isopropyl-3,8-dimethylazulene-1-sulfonate hydrate
Molecular FormulaC30H36Na2O7S2
Molecular Weight618.72
SMILESO=S(C1=C2C(C)=CC=C(C=C2C(C)=C1)C(C)C)([O-])=O.O=S(C3=C4C(C)=CC=C(C=C4C(C)=C3)C(C)C)([O-])=O.[H]O[H].[Na+].[Na+]
InChI KeyGXRPMJSYZXBFCJ-UHFFFAOYSA-L
SynonymSodiuM Gualenate (Guaiazulene 3-Sulfonate SodiuM Salt);1-Azulenesulfonic acid, 3,8-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (2:2:1)
CAS No.916445-22-2

Synthetic Route by SureRoute

1. ACGDVW568 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. ACGDVW568 route product structure diagram
    ACGDVW568916445-22-2
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2. ACGDVW568 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACCWDA697 route compound structure diagram
    ACCWDA69713061-96-6
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACGDVW568 route product structure diagram
    ACGDVW568916445-22-2
Inquiry

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