1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)

CAS Registry Number®

33628-05-6

CAS Name

1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)

Molecular Formula

C29H30Cl2F6N4O6S2.Na

Cite this Page

1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33628-05-6 (retrieved 2024-11-15) (CAS RN: 33628-05-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H30Cl2F6N4O6S2.Na/c1-3-38-24-16-20(30)18(28(32,33)34)14-22(24)40(10-6-12-48(42,43)44)26(38)8-5-9-27-39(4-2)25-17-21(31)19(29(35,36)37)15-23(25)41(27)11-7-13-49(45,46)47;/h5,8-9,14-17H,3-4,6-7,10-13H2,1-2H3,(H-,42,43,44,45,46,47);

InChIKey

InChIKey=ZFCZPQZSGJQEMJ-UHFFFAOYSA-N

SMILES

C(CCS(=O)(=O)O)N1C=2C(N(CC)C1=CC=CC3=[N+](CCCS(=O)(=O)[O-])C=4C(N3CC)=CC(Cl)=C(C(F)(F)F)C4)=CC(Cl)=C(C(F)(F)F)C2.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])CCC[N+]=1C=2C=C(C(Cl)=CC2N(C1C=CC=C3N(C4=CC(Cl)=C(C=C4N3CCCS(=O)(=O)O)C(F)(F)F)CC)CC)C(F)(F)F

Other Names for this Substance

  • 1H-Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
  • Benzimidazolium, 6-chloro-2-[3-[5-chloro-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-2-benzimidazolinylidene]propenyl]-1-ethyl-3-(3-sulfopropyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • 1H-Benzimidazolium, 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • 1H-Benzimidazolium, 5-chloro-2-[3-[5-chloro-3-ethyl-1,3-dihydro-1-(3-sulfopropyl)-6-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-1-(3-sulfopropyl)-6-(trifluoromethyl)-, inner salt, sodium salt
  • Anhydrobis(5-chloro-3-ethyl-1-3′-sulphopropyl-6-trifluoromethyl-2-benzimidazole)trimethincyanine hydroxide, sodium salt

CAS INSIGHTSTM
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