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Substance Name: Acid blue 104
RN: 6505-30-2
InChIKey: RAMNYUMITLZMIC-UHFFFAOYSA-N

Molecular Formula

  • C43-H49-N3-O6-S2.Na

Molecular Weight

  • 790.997
 
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Names and Synonyms

Name of Substance

  • Acid blue 104
  • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami- no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden- e)-N-ethyl-3-sulfo-, hydroxide, inner salt, sodium salt
  • CI 42735
  • N-(4-((4-(Diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)ami- no)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-yliden- e)-N-ethyl-3-sulfobenzenemethanaminium hydroxide, inner salt, sodium salt

Synonyms

  • C.I. Acid Blue 104
  • EINECS 229-390-2

Systematic Names

  • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt
  • Benzenemethanaminium, N-(4-((4-(diethylamino)phenyl)(4-(ethyl((3-sulfophenyl)methyl)amino)-2-methylphenyl)methylene)-3-methyl-2,5-cyclohexadien-1-ylidene)-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • Hydrogen (4-((4-(diethylamino)phenyl)(4-(ethyl(3-sulphonatobenzyl)amino)-o-tolyl)methylene)-3-methylcyclohexa-2,5-dien-1-ylidene)(ethyl)(3-sulphonatobenzyl)ammonium, sodium salt

Registry Numbers

CAS Registry Number

  • 6505-30-2

Other Registry Number

  • 178966-14-8

System Generated Number

  • 0006505302

Molecular Formulas

Molecular Formula

  • C43-H49-N3-O6-S2.Na

Molecular Formula Fragments

  • C43-H49-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1

InChIKey

RAMNYUMITLZMIC-UHFFFAOYSA-N

Smiles

S(c1cc(CN(c2cc(C)c(\C(=C3/C(=CC(=[N+](\Cc4cc(S(=O)(=O)O)ccc4)CC)\C=C3)C)c3ccc(cc3)N(CC)CC)cc2)CC)ccc1)([O-])(=O)=O.[Na+]