Chemical Compound

AC1NUR57

CAS Registry Number 63148-90-3
AC1NUR57 chemical structure
Primary Record

AC1NUR57

In stock
2,931 g
Purity
99.5 %
CAS
63148-90-3

Compound Identifiers & Properties

CAS
63148-90-3
PubChem CID
5489208
SMILES
CC/C(=C/C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCC(C)S(=O)(=O)O)/C=C\4/N(C5=C(O4)C=CC(=C5)Cl)CCCS(=O)(=O)[O-].CCN(CC)CC
Canonical SMILES
CCC(=C/c1oc2ccc(-c3ccccc3)cc2[n+]1CCC(C)S(=O)(=O)O)/C=C1\Oc2ccc(Cl)cc2N1CCCS(=O)(=O)[O-].CCN(CC)CC

Names & Synonyms

  • AC1NUR57
  • EINECS 263-942-3
  • DTXSID70936367
  • C32H33ClN2O8S2.C6H15N
  • CID5489208
  • C32-H33-Cl-N2-O8-S2.C6-H15-N
  • 63148-90-3
  • Benzoxazolium, 5-chloro-2-(2-((5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-(2-((5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • 3-[(2Z)-5-chloro-2-[(2Z)-2-[[5-phenyl-3-(3-sulfobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate; N,N-diethylethanamine
  • 3-{5-Chloro-2-[(1E)-2-{(Z)-[5-phenyl-3-(3-sulfobutyl)-1,3-benzoxazol-2(3H)-ylidene]methyl}but-1-en-1-yl]-1,3-benzoxazol-3-ium-3-yl}propane-1-sulfonate--N,N-diethylethanamine (1/1)
  • 4-[2-(2-{[5-Chloro-3-(3-sulfopropyl)-3H-1,3-benzoxazol-1-ium-2-yl]methylidene}butylidene)-5-phenyl-1,3-benzoxazol-3(2H)-yl]butane-2-sulfonate--N,N-diethylethanamine (1/1)
  • Benzoxazolium, 5-chloro-2-(2-((5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl- 3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1 -butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,hydroxide, inner salt, compound with N,N-diethylethanamine (1:1)
  • Hydrogen 5-chloro-2-(2-((5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)
  • Hydrogen 5-chloro-2-[2-[[5-phenyl-3-(3-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzoxazolium, compound with triethylamine (1:1)