Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Catalog No. :
ACLCON040
CAS No. :
39201-42-8
Molecular Formula :
C31H41Cl2N3O8S2
Molecular Weight :
718.72

IUPAC Name:triethylamine 3-(5-chloro-2-(2-((5-chloro-3-(3-sulfonatopropyl)benzo[d]oxazol-2(3H)-ylidene)methyl)but-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate

Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) structure diagram
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Product Information

Product NameBenzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
IUPAC Nametriethylamine 3-(5-chloro-2-(2-((5-chloro-3-(3-sulfonatopropyl)benzo[d]oxazol-2(3H)-ylidene)methyl)but-1-en-1-yl)benzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate
Molecular FormulaC31H41Cl2N3O8S2
Molecular Weight718.72
SMILESO=S(CCC[N+]1=C(/C=C(/C=C2OC3=CC=C(Cl)C=C3N/2CCCS(=O)(O)=O)CC)OC4=CC=C(Cl)C=C14)([O-])=O.CCN(CC)CC
InChI KeyULHAYPWCIHCPHI-UHFFFAOYSA-N
Synonym5-CHLORO-2-(2-[(5-CHLORO-3-(3-SULFOPROPYL)-2(3H)- BENZOXAZOLYLIDENE)METHYL]- 1-BUTENYL)-3-(3-SULFOPROPYL)- BENZOXAZOLIUM INNER SALT TRIETHYLAMINE SALT;benzoxazolium,5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3h)-benzoxazolylide;Benzoxazolium,5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,innersalt,compd.withN,N-diethylethanamine(1:1);n-diethylethanamine(1:1);ne]methyl]-1-butenyl]-3-(3-sulfopropyl)-,hydroxide,innersalt,compd.withn,;hydrogen 5-chloro-2-[3-[5-chloro-3-(3-sulphonatopropyl)-3H-benzoxazol-2-ylidene]-2-ethylprop-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1);Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine;Benzoxazolium, 5-chloro-2-[2-[[5-chloro- 3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl] -1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
CAS No.39201-42-8

Synthetic Route by SureRoute

1. ACLCON040 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACUAMT395 route compound structure diagram
    ACUAMT39555788-44-8 In Stock
  4. Then
  5. ACLCON040 route product structure diagram
    ACLCON04039201-42-8
Inquiry

2. ACLCON040 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACLCON040 route product structure diagram
    ACLCON04039201-42-8
Inquiry

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