Brilliant Blue R

CAS Registry Number®

6104-59-2

CAS Name

Brilliant Blue R

Molecular Formula

C45H45N3O7S2.Na

Cite this Page

Brilliant Blue R.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6104-59-2 (retrieved 2024-11-22) (CAS RN: 6104-59-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H45N3O7S2.Na/c1-4-47(31-33-9-7-11-43(29-33)56(49,50)51)40-23-15-36(16-24-40)45(35-13-19-38(20-14-35)46-39-21-27-42(28-22-39)55-6-3)37-17-25-41(26-18-37)48(5-2)32-34-10-8-12-44(30-34)57(52,53)54;/h7-30H,4-6,31-32H2,1-3H3,(H2,49,50,51,52,53,54);

InChIKey

InChIKey=JBOQDMLEGVLYIP-UHFFFAOYSA-N

SMILES

C(C1=CC=C(N(CC2=CC(S(=O)(=O)O)=CC=C2)CC)C=C1)(=C3C=CC(=[N+](CC4=CC(S(=O)(=O)[O-])=CC=C4)CC)C=C3)C5=CC=C(NC6=CC=C(OCC)C=C6)C=C5.[Na]

Canonical SMILES

[Na].O=S(=O)([O-])C=1C=CC=C(C1)C[N+](=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC4=CC=C(OCC)C=C4)C5=CC=C(C=C5)N(CC6=CC=CC(=C6)S(=O)(=O)O)CC)CC

Other Names for this Substance

  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, sodium salt (1:1)
  • C.I. Acid Blue 83
  • C.I. Acid Blue 83, monosodium salt
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, hydroxide, inner salt, monosodium salt
  • Benzenemethanaminium, N-[4-[[4-[(4-ethoxyphenyl)amino]phenyl][4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-3-sulfo-, inner salt, monosodium salt

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Deleted or Replaced CAS Registry Numbers

12698-46-3, 86697-48-5, 108066-47-3, 1799495-73-0, 2287196-89-6

CAS INSIGHTSTM
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