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Substance Name: 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
RN: 63148-91-4
InChIKey: GJBYYQWPGHLDGU-UHFFFAOYSA-N

Molecular Formula

  • C29-H34-Cl4-N4-O6-S2.C6-H15-N

Molecular Weight

  • 841.745
 
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Names and Synonyms

Synonym

  • EINECS 263-943-9

Systematic Names

  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 63148-91-4

System Generated Number

  • 0063148914

Molecular Formulas

Molecular Formula

  • C29-H34-Cl4-N4-O6-S2.C6-H15-N

Molecular Formula Fragments

  • C29-H34-Cl4-N4-O6-S2
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C29H34Cl4N4O6S2.C6H15N/c1-5-34-24-14-20(30)22(32)16-26(24)36(12-10-18(3)44(38,39)40)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)13-11-19(4)45(41,42)43;1-4-7(5-2)6-3/h7-9,14-19H,5-6,10-13H2,1-4H3,(H-,38,39,40,41,42,43);4-6H2,1-3H3

InChIKey

GJBYYQWPGHLDGU-UHFFFAOYSA-N

Smiles

C([n+]1c2cc(Cl)c(Cl)cc2n(CC)c1\C=C/C=C1\N(c2c(N1CC)cc(Cl)c(Cl)c2)CC[C@@H](C)S(=O)(=O)O)C[C@@H](C)S(=O)(=O)[O-].N(CC)(CC)CC