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Substance Name: 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
RN: 63834-91-3
InChIKey: PJDKKAHKLXNQMA-QQZSASQOSA-M

Molecular Formula

  • C29-H32-F6-N4-O6-S2.Na

Molecular Weight

  • 734.712
 
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Names and Synonyms

Synonym

  • EINECS 264-508-6

Systematic Names

  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, sodium salt (1:1)
  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, hydroxide, inner salt, sodium salt
  • 1H-Benzimidazolium, 2-(3-(1,3-dihydro-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-methyl-3-(4-sulfobutyl)-5-(trifluoromethyl)-, inner salt, sodium salt

Registry Numbers

CAS Registry Number

  • 63834-91-3

System Generated Number

  • 0063834913

Molecular Formulas

Molecular Formula

  • C29-H32-F6-N4-O6-S2.Na

Molecular Formula Fragments

  • C29-H32-F6-N4-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H34F6N4O6S2.Na/c1-36-22-12-10-20(28(30,31)32)18-24(22)38(14-3-5-16-46(40,41)42)26(36)8-7-9-27-37(2)23-13-11-21(29(33,34)35)19-25(23)39(27)15-4-6-17-47(43,44)45;/h7-13,18-19,26H,3-6,14-17H2,1-2H3,(H,40,41,42)(H,43,44,45);/q;+1/p-1/b8-7?,27-9-;

InChIKey

PJDKKAHKLXNQMA-QQZSASQOSA-M

Smiles

N1([C@@H](N(c2ccc(cc12)C(F)(F)F)C)\C=C/C=C1\N(c2c(N1C)ccc(C(F)(F)F)c2)CCCCS(=O)(=O)O)CCCCS(=O)([O-])=O.[Na+]